SCHEMBL2819720

SCHEMBL2819720

COC(=O)CCCOc1ccc2nc(-c3cccnc3)n(-c3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.48
MAPT P10636 5/20 0.47
GBA1 P04062 1/20 0.46
PDE3B Q13370 7/20 0.45
PDE3A Q14432 7/20 0.45
P2RY12 Q9H244 6/20 0.45
PDE2A O00408 2/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
AOC3 Q16853 1/20 0.41
FAAH O00519 1/20 0.41
AVPR1B P47901 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
SCHEMBL2214154 0.97 G6PD (0.47) G6PDMAPTGBA1PDE3BPDE3A
SCHEMBL2212602 0.96 GBA1 (0.48) G6PDMAPTGBA1PDE3BPDE3A
SCHEMBL2818063 0.94 G6PD (0.45) G6PDMAPTGBA1PDE3BPDE3A
SCHEMBL2323588 0.92 PDE3B (0.50) PDE3BPDE3AP2RY12PDE2AFAAH
SCHEMBL2323200 0.91 GBA1 (0.46) G6PDMAPTGBA1PDE3BPDE3A
SCHEMBL2212909 0.91 PDE3B (0.45) G6PDMAPTGBA1PDE3BPDE3A
SCHEMBL2211957 0.91 MAPT (0.49) G6PDMAPTPDE3BPDE3AP2RY12
SCHEMBL2215788 0.90 PDE3B (0.45) G6PDMAPTGBA1PDE3BPDE3A
SCHEMBL2214832 0.90 CYP11B2 (0.46) G6PDMAPTGBA1PDE3BPDE3A
SCHEMBL2215534 0.89 CYP11B2 (0.46) G6PDMAPTGBA1PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 G6PD 1355/4885MAPT 98/4885GBA1 335/4885
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 G6PD 1144/4885MAPT 229/4885GBA1 242/4885

“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.