SCHEMBL2213552

SCHEMBL2213552

COc1ccc2nc(-c3cccnc3)n(-c3ccccc3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 10/20 0.64
CYP11B1 P15538 8/20 0.64
G6PD P11413 1/20 0.62
AOC3 Q16853 1/20 0.52
CYP17A1 P05093 2/20 0.50
CYP19A1 P11511 1/20 0.50
RAD51 Q06609 1/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
DHFR P00374 1/20 0.45
ALDH1A1 P00352 1/20 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

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
SCHEMBL2215667 0.90 CYP11B2 (0.60) CYP11B2CYP11B1G6PDAOC3CYP17A1
SCHEMBL2326240 0.86 ALDH1A1 (0.52) CYP11B2CYP11B1G6PDAOC3CYP19A1
SCHEMBL1104863 0.85 AOC3 (0.56) CYP11B2CYP11B1G6PDAOC3MAPT
SCHEMBL2330188 0.84 HDAC1 (0.49) CYP11B2CYP11B1G6PDMAPTNPC1
SCHEMBL4589453 0.84 ALDH1A1 (0.57) CYP11B2CYP11B1G6PDMAPTNPC1
SCHEMBL2326385 0.83 ALDH1A1 (0.59) CYP11B2CYP11B1G6PDMAPTRAB9A
SCHEMBL2330609 0.83 ALDH1A1 (0.59) MAPTNPC1RAB9ADHFRALDH1A1
SCHEMBL2211752 0.81 MAPT (0.61) CYP11B2CYP11B1G6PDAOC3CYP19A1
SCHEMBL2819720 0.81 G6PD (0.48) CYP11B2CYP11B1G6PDAOC3MAPT
SCHEMBL2325922 0.81 NPC1 (0.49) NPC1RAB9AALDH1A1HPGDMAPK1

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 918/4885G6PD 1355/4885
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 595/4885G6PD 1144/4885

“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.