SCHEMBL2214799

SCHEMBL2214799

COC(=O)CCCCOc1ccc2nc(-c3ccsc3)n(-c3ccc(C)cc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 10/20 0.48
PDE3A Q14432 10/20 0.48
P2RY12 Q9H244 7/20 0.48
PDE2A O00408 4/20 0.48
DHFR P00374 1/20 0.38
AVPR1B P47901 1/20 0.37
AR P10275 1/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
DPP4 P27487 3/20 0.36
LTA4H P09960 1/20 0.36
DYRK1A Q13627 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL2214087 0.99 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2ADHFR
SCHEMBL2818827 0.97 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2ADHFR
SCHEMBL2214849 0.93 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2AAVPR1B
SCHEMBL2211647 0.92 PDE3B (0.47) PDE3BPDE3AP2RY12PDE2ADHFR
SCHEMBL2213980 0.92 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2AAVPR1B
SCHEMBL2213642 0.92 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2ADHFR
SCHEMBL2213928 0.91 PDE3B (0.45) PDE3BPDE3AP2RY12PDE2ADHFR
SCHEMBL6618987 0.91 PDE3B (0.45) PDE3BPDE3AP2RY12PDE2ADHFR
SCHEMBL2821031 0.90 PDE3B (0.42) PDE3BPDE3AP2RY12PDE2ADHFR
SCHEMBL6354113 0.90 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2ADHFR

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 PDE3B 644/4885PDE3A 534/4885P2RY12 618/4885
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 PDE3B 545/4885PDE3A 555/4885P2RY12 732/4885

“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.