SCHEMBL570302

SCHEMBL570302

CCn1nc(-c2ccc(Oc3nc4cccnc4n3CCOC)cc2)c2ncccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK14 Q16539 1/20 0.39
CYP1A2 P05177 9/20 0.38
CYP3A4 P08684 9/20 0.38
TSHR P16473 8/20 0.38
USP2 O75604 7/20 0.38
CASP1 P29466 7/20 0.38
HSD17B10 Q99714 7/20 0.38
CASP7 P55210 6/20 0.38
CYP2C9 P11712 8/20 0.38
HPGD P15428 5/20 0.38
CYP2C19 P33261 3/20 0.38
MAPK1 P28482 2/20 0.37
RAB9A P51151 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 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
SCHEMBL15065321 0.89 MAPK14 (0.41) ALDH1A1KDM4ESMN1; SMN2MAPK14CYP1A2
SCHEMBL570635 0.89 CYP1A2 (0.40) ALDH1A1SMN1; SMN2MAPK14CYP1A2CYP3A4
SCHEMBL10285695 0.88 MEN1 (0.40) KDM4ECYP1A2TSHRUSP2CASP1
SCHEMBL15068355 0.86 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2MAPK14CYP1A2
SCHEMBL570861 0.86 KDM4E (0.36) KDM4EMAPK14USP2CASP1CASP7
SCHEMBL570749 0.86 MEN1 (0.36) KDM4ECYP1A2TSHRUSP2CASP1
SCHEMBL15064484 0.82 PDE10A (0.43) ALDH1A1KDM4ETSHRUSP2CASP1
SCHEMBL570442 0.82 PDE10A (0.40) ALDH1A1KDM4ESMN1; SMN2MAPK14CYP1A2
SCHEMBL15065151 0.81 CYP1A2 (0.39) ALDH1A1SMN1; SMN2MAPK14CYP1A2CYP3A4
SCHEMBL570249 0.80 CYP1A2 (0.41) ALDH1A1KDM4ESMN1; SMN2MAPK14CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601192-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
EP-2601192-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 US disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 US disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 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 (1 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-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A ALDH1A1 270/4885KDM4E 1619/4885SMN1; SMN2 2821/4885

“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.