SCHEMBL2213243

SCHEMBL2213243

COc1ccc2nc(-c3ccsc3)n(-c3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.48
PDGFRA P16234 2/20 0.48
ALDH1A1 P00352 4/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
MAPK10 P53779 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
DHFR P00374 1/20 0.43
NPC1 O15118 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
FGFR1 P11362 2/20 0.42
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RPS6KB1 P23443 2/20 0.41
CYP1A2 P05177 2/20 0.41
PDE10A Q9Y233 2/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL2214052 0.88 PDGFRB (0.46) PDGFRBPDGFRAALDH1A1HPGDDHFR
SCHEMBL6439151 0.85 RPS6KB1 (0.55) ALDH1A1HPGDHTTNPC1RAB9A
SCHEMBL2326240 0.84 ALDH1A1 (0.52) PDGFRBPDGFRAALDH1A1HPGDMAPK1
SCHEMBL2330609 0.83 ALDH1A1 (0.59) ALDH1A1HPGDMAPK1HTTMAPK10
SCHEMBL2817234 0.82 PDE3B (0.48) CYP1A2PDE10AHDAC1HDAC8HDAC6
SCHEMBL2213670 0.81 ESR2 (0.52) ALDH1A1DHFRMEN1KMT2AHDAC1
SCHEMBL2330188 0.81 HDAC1 (0.49) ALDH1A1HPGDMAPK1HTTMAPK10
SCHEMBL4589453 0.81 ALDH1A1 (0.57) ALDH1A1HPGDMAPK1HTTMAPK10
SCHEMBL2214849 0.81 PDE3B (0.48) CYP1A2PDE10A
SCHEMBL8026811 0.81 ALDH1A1 (0.48) ALDH1A1HPGDMAPK1HTTMAPK10

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
EP-1474415-B1 1-PHENYL-2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, THE USE THEREOF FOR PRODUCING DRUGS USED IN THE TREATMENT OF IMMUNOLOGICAL DISEASES BAYER SCHERING PHARMA AG (DE) 2011-07-27 EP disclosed
US-7683081-B2 1-phenyl-2-heteroaryl-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-23 US disclosed
US-20050267160-A1 1-Phenyl-2-heteroaryl-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-01 US disclosed
US-6962932-B2 1-phenyl-2-heteroaryl-substituted benzimdazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-11-08 US disclosed
EP-1474415-A1 1-PHENYL-2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, THE USE THEREOF FOR PRODUCING DRUGS USED IN THE TREATMENT OF IMMUNOLOGICAL DISEASES Schering Aktiengesellschaft (DE) 2004-11-10 EP disclosed
US-20030229085-A1 1-Phenyl-2-heteroaryl-substituted benzimdazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2003-12-11 US disclosed
WO-2003068766-A1 1-PHENYL-2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, THE USE THEREOF FOR PRODUCING DRUGS USED IN THE TREATMENT OF IMMUNOLOGICAL DISEASES SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-21 WO 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-20050267160-A1 1-Phenyl-2-heteroaryl-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives CD4, NFATC1, ICOS PDGFRB 124/4885PDGFRA 111/4885ALDH1A1 1382/4885
US-20030229085-A1 1-Phenyl-2-heteroaryl-substituted benzimdazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives CD4, ICOS, NFATC1 PDGFRB 293/4885PDGFRA 210/4885ALDH1A1 937/4885

“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.