SCHEMBL2461072

SCHEMBL2461072

O=C1COc2ncc3ccccc3c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
GPR3 P46089 1/20 0.43
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
PARP1 P09874 1/20 0.40
PRKCI P41743 1/20 0.40
PDE4B Q07343 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX5 P09917 4/20 0.38
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP19A1 P11511 1/20 0.33
AKT1 P31749 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
ELANE P08246 1/20 0.32
DNMT1 P26358 1/20 0.32

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
SCHEMBL30019143 0.70 CYP19A1 (0.53) KDM4EALDH1A1HSD17B10TDP1ALOX5
SCHEMBL86321 0.70 CYP19A1 (0.53) KDM4EALDH1A1HSD17B10TDP1ALOX5
SCHEMBL16836537 0.70 KDM4E (0.39) KDM4EGPR3ALDH1A1HSD17B10PARP1
SCHEMBL852241 0.70 KDM4E (0.39) KDM4EGPR3ALDH1A1HSD17B10PARP1
SCHEMBL28262113 0.67 KDM4E (0.39) KDM4EGPR3ALDH1A1HSD17B10PARP1
SCHEMBL1478086 0.67 KDM4E (0.39) KDM4EGPR3ALDH1A1HSD17B10PARP1
SCHEMBL378548 0.67 KDM4E (0.39) KDM4EGPR3ALDH1A1HSD17B10PARP1
SCHEMBL6434380 0.67 MAPT (0.46) KDM4EGPR3ALDH1A1HSD17B10NPC1
SCHEMBL27619154 0.66 KDM4E (0.38) KDM4EGPR3ALDH1A1HSD17B10PARP1
SCHEMBL27619538 0.66 KDM4E (0.38) KDM4EGPR3ALDH1A1HSD17B10PARP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237617-A1 THIENO[2,3-C] ISOQUINOLINES FOR USE AS INHIBITORS OF PARP PELLICCIARI ROBERTO 2011-09-29 US disclosed
US-7825129-B2 Thieno[2,3-c] isoquinolines for use as inhibitors of PARP PELLICCIARI ROBERTO 2010-11-02 US disclosed
EP-1464646-B1 Thieno(2,3-C) Isoquinolines for use as inhibitors of Parp PELLICCIARI ROBERTO (IT) 2009-09-30 EP disclosed
US-20060094746-A1 Thieno[2,3-c] isoquinolines for use as inhibitors of PARP PELLICCIARI ROBERTO 2006-05-04 US disclosed
US-6989388-B2 Thieno[2,3-c]iosquinolines for use as inhibitors of PARP Pellicciari, Roberto (IT) 2006-01-24 US disclosed
EP-1464646-A1 Thieno(2,3-C) Isoquinolines for use as inhibitors of Parp SMITHKLINE BEECHAM PLC (GB) 2004-10-06 EP disclosed
US-20040082789-A1 Thieno[2,3-c]iosquinolines for use as inhibitors of parp MORONI, FLAVIO (IT) 2004-04-29 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 (3 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-20110237617-A1 THIENO[2,3-C] ISOQUINOLINES FOR USE AS INHIBITORS OF PARP PARP1, PARP2, PARP3 KDM4E 754/4885GPR3 2478/4885ALDH1A1 136/4885
US-20040082789-A1 Thieno[2,3-c]iosquinolines for use as inhibitors of parp PARP1, PARP2, PARP12 KDM4E 3808/4885GPR3 1621/4885ALDH1A1 1365/4885
US-20060094746-A1 Thieno[2,3-c] isoquinolines for use as inhibitors of PARP PARP1, PARP2, PARP3 KDM4E 754/4885GPR3 2478/4885ALDH1A1 136/4885

“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.