SCHEMBL2214832

SCHEMBL2214832

COC(=O)CCCCOc1ccc2nc(-c3cccnc3)n(-c3ccc(F)cc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.46
CYP11B1 P15538 5/20 0.46
PDE3B Q13370 4/20 0.44
PDE3A Q14432 4/20 0.44
P2RY12 Q9H244 3/20 0.44
PDE2A O00408 1/20 0.44
G6PD P11413 1/20 0.43
AOC3 Q16853 6/20 0.42
GBA1 P04062 1/20 0.42
MAPT P10636 1/20 0.42
VDR P11473 1/20 0.41
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL2215534 0.99 CYP11B2 (0.46) CYP11B2CYP11B1PDE3BPDE3AP2RY12
SCHEMBL2212909 0.93 PDE3B (0.45) CYP11B2CYP11B1PDE3BPDE3AP2RY12
SCHEMBL2215788 0.92 PDE3B (0.45) CYP11B2CYP11B1PDE3BPDE3AP2RY12
SCHEMBL2214154 0.92 G6PD (0.47) CYP11B2CYP11B1PDE3BPDE3AP2RY12
SCHEMBL2212602 0.91 GBA1 (0.48) CYP11B2CYP11B1PDE3BPDE3AP2RY12
SCHEMBL1378188 0.91 CYP11B2 (0.46) CYP11B2CYP11B1PDE3BPDE3APDE2A
SCHEMBL2818063 0.91 G6PD (0.45) CYP11B2CYP11B1PDE3BPDE3AP2RY12
SCHEMBL2213278 0.90 CYP11B2 (0.45) CYP11B2CYP11B1PDE3BPDE3AP2RY12
SCHEMBL2819720 0.90 G6PD (0.48) CYP11B2CYP11B1PDE3BPDE3AP2RY12
SCHEMBL6618630 0.87 CYP11B2 (0.52) CYP11B2CYP11B1PDE2AG6PDAOC3

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 CYP11B2 512/4885CYP11B1 918/4885PDE3B 644/4885
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 CYP11B2 349/4885CYP11B1 595/4885PDE3B 545/4885

“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.