SCHEMBL5729400

SCHEMBL5729400

O=c1[nH]c(=O)c2sc3ncccc3c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 2/20 0.46
MCL1 Q07820 1/20 0.46
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LIMK1 P53667 3/20 0.41
CDC7 O00311 2/20 0.41
DBF4 Q9UBU7 2/20 0.41
CLK1 P49759 2/20 0.41
TTR P02766 1/20 0.39
PARP1 P09874 5/20 0.39
AURKA O14965 1/20 0.39
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
KRAS P01116 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8049644 0.76 KDM4E (0.40) KDM4EALDH1A1MCL1HPGDMAPK1
SCHEMBL8049628 0.75 KRAS (0.43) KDM4EALDH1A1MCL1HPGDMAPK1
SCHEMBL8049657 0.73 MAPT (0.56) KDM4EALDH1A1MCL1HPGDHTT
SCHEMBL18552580 0.73 KDM4E (0.42) KDM4EALDH1A1MCL1HPGDMAPK1
SCHEMBL271817 0.72 LIMK1 (0.41) KDM4EALDH1A1HPGDHTTKMT2A
SCHEMBL23378336 0.72 LIMK1 (0.55) KDM4EALDH1A1LIMK1CDC7DBF4
SCHEMBL11072002 0.70 KDM4D (0.43) ALDH1A1HPGDLIMK1NPC1LMNA
SCHEMBL22006355 0.70 DAO (0.42) KDM4EALDH1A1MCL1CDC7DBF4
SCHEMBL14780491 0.70 LIMK1 (0.53) KDM4EHPGDLIMK1CDC7DBF4
SCHEMBL23378412 0.69 LIMK1 (0.48) KDM4EALDH1A1LIMK1CDC7DBF4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1623987-A1 Fused pyrido[3',2':4,5]thieno[3,2-d]pyrimidines and pyrido[3',2':4,5]furo[3,2-d]pyrimidines Curacyte Discovery GmbH (DE) 2006-02-08 EP claimed
EP-1619197-A1 Substituted Pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2,4(1H,3H)diones and -4(3H)ones as well as Pyrido[3',2':4,5]furo[3,2-d]-pyrimidin-2,4(1H,3H)diones und -4(3H)ones as inhibitors of TNF-alpha release Curacyte Discovery GmbH (DE) 2006-01-25 EP claimed
US-6133275-A ALPHA 1 ADRENORECEPTOR ANTAGONISTS; TREATING BENIGN PROSTATIC HYPERPLASIA AND OTHER UROLOGICAL DISEASES E.G., BLADDER OUTLET OBSTRUCTION), NEUROGENIC BLADDER AND GYNECOLOGICAL SYNDROMES, E.G., DYSMENORRHEA; UTERINE MUSCLE RELAXANTS ABBOTT LABORATORIES (US) 2000-10-17 US claimed
US-20190040079-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS CONVALIFE (SHANGHAI) CO. LIMITED (CN) 2019-02-07 US disclosed
US-20190040079-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS CONVALIFE (SHANGHAI) CO. LIMITED (CN) 2019-02-07 US disclosed
US-9938290-B2 Tricyclic heterocyclic compounds as phosphoinositide 3-kinase inhibitors KARUS THERAPEUTICS LIMITED (GB) 2018-04-10 US disclosed
US-9938290-B2 Tricyclic heterocyclic compounds as phosphoinositide 3-kinase inhibitors KARUS THERAPEUTICS LIMITED (GB) 2018-04-10 US disclosed
US-9938290-B2 Tricyclic heterocyclic compounds as phosphoinositide 3-kinase inhibitors KARUS THERAPEUTICS LIMITED (GB) 2018-04-10 US disclosed
US-20180009826-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS CONVALIFE (SHANGHAI) CO. LIMITED (CN) 2018-01-11 US disclosed
US-20180009826-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS CONVALIFE (SHANGHAI) CO. LIMITED (CN) 2018-01-11 US disclosed
US-9580442-B2 Tricyclic heterocyclic compounds as phosphoinositide 3-kinase inhibitors KARUS THERAPEUTICS LIMITED (GB) 2017-02-28 US disclosed
EP-1623987-A1 Fused pyrido[3',2':4,5]thieno[3,2-d]pyrimidines and pyrido[3',2':4,5]furo[3,2-d]pyrimidines Curacyte Discovery GmbH (DE) 2006-02-08 EP disclosed
EP-1623987-A1 Fused pyrido[3',2':4,5]thieno[3,2-d]pyrimidines and pyrido[3',2':4,5]furo[3,2-d]pyrimidines Curacyte Discovery GmbH (DE) 2006-02-08 EP disclosed
WO-2006010568-A2 SUBSTITUTED PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINE-2,4(1 H,3H)-DIONES AND -4(3H)-ONES, PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE-2,4(1 H,3H)-DIONES AND -4(3H)-ONES, AND USE THEREOF AS INHIBITORS OF TNF-ALPHA RELEASE CURACYTE DISCOVERY GMBH (DE) 2006-02-02 WO disclosed
WO-2006010568-A2 SUBSTITUTED PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINE-2,4(1 H,3H)-DIONES AND -4(3H)-ONES, PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE-2,4(1 H,3H)-DIONES AND -4(3H)-ONES, AND USE THEREOF AS INHIBITORS OF TNF-ALPHA RELEASE CURACYTE DISCOVERY GMBH (DE) 2006-02-02 WO disclosed
WO-2006010568-A2 SUBSTITUTED PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINE-2,4(1 H,3H)-DIONES AND -4(3H)-ONES, PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE-2,4(1 H,3H)-DIONES AND -4(3H)-ONES, AND USE THEREOF AS INHIBITORS OF TNF-ALPHA RELEASE CURACYTE DISCOVERY GMBH (DE) 2006-02-02 WO disclosed
EP-1619197-A1 Substituted Pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2,4(1H,3H)diones and -4(3H)ones as well as Pyrido[3',2':4,5]furo[3,2-d]-pyrimidin-2,4(1H,3H)diones und -4(3H)ones as inhibitors of TNF-alpha release Curacyte Discovery GmbH (DE) 2006-01-25 EP disclosed
EP-1619197-A1 Substituted Pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2,4(1H,3H)diones and -4(3H)ones as well as Pyrido[3',2':4,5]furo[3,2-d]-pyrimidin-2,4(1H,3H)diones und -4(3H)ones as inhibitors of TNF-alpha release Curacyte Discovery GmbH (DE) 2006-01-25 EP disclosed
EP-1619197-A1 Substituted Pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2,4(1H,3H)diones and -4(3H)ones as well as Pyrido[3',2':4,5]furo[3,2-d]-pyrimidin-2,4(1H,3H)diones und -4(3H)ones as inhibitors of TNF-alpha release Curacyte Discovery GmbH (DE) 2006-01-25 EP disclosed
US-6133275-A ALPHA 1 ADRENORECEPTOR ANTAGONISTS; TREATING BENIGN PROSTATIC HYPERPLASIA AND OTHER UROLOGICAL DISEASES E.G., BLADDER OUTLET OBSTRUCTION), NEUROGENIC BLADDER AND GYNECOLOGICAL SYNDROMES, E.G., DYSMENORRHEA; UTERINE MUSCLE RELAXANTS ABBOTT LABORATORIES (US) 2000-10-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180009826-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS PIK3CA, PIK3CD, PIK3C2A KDM4E 2632/4885ALDH1A1 4413/4885MCL1 1738/4885
US-20190040079-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS PIK3CA, PIK3CD, PIK3R2 KDM4E 2632/4885ALDH1A1 4341/4885MCL1 1741/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.