SCHEMBL5901433

SCHEMBL5901433

Cn1cnc2c(N)cc(Br)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ CDK1 P06493 2/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ DPP4 P27487 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ C1S P09871 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ MAP2K2 P36507 2/20 0.31
▸ MAP2K1 Q02750 2/20 0.31
▸ ABCB11 O95342 1/20 0.31
▸ NQO2 P16083 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31

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
SCHEMBL31286514 1.00 ADORA2A (0.38) ADORA2AADORA1CDK1DYRK1ADPP4
SCHEMBL31286517 1.00 ADORA2A (0.38) ADORA2AADORA1CDK1DYRK1ADPP4
SCHEMBL22125661 0.78 MEN1 (0.37) CDK1DPP4KDM4EALDH1A1GLA
SCHEMBL20459519 0.78 DYRK1A (0.38) ADORA2AADORA1CDK1DYRK1ADPP4
SCHEMBL20600776 0.78 PRPS1 (0.44) ADORA2AADORA1KDM4EALDH1A1GLA
SCHEMBL24529684 0.75 NQO2 (0.41) ALDH1A1GAAGRM5NQO2
SCHEMBL34475643 0.75 NQO2 (0.41) ALDH1A1GAAGRM5NQO2
SCHEMBL31541896 0.74 C1S (0.39) ADORA2AADORA1CDK1DYRK1ADPP4
SCHEMBL31286477 0.73 AKR1C3 (0.40) KDM4EALDH1A1GLAHSD17B10C1S
SCHEMBL22704840 0.71 SMN1; SMN2 (0.41) ADORA2AADORA1CDK1DYRK1ADPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion ALTANA PHARMA AG (DE) 2006-08-31 — — US disclosed
EP-1575924-A1 4-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION ALTANA Pharma AG (DE) 2005-09-21 — — EP disclosed
WO-2004054984-A1 4-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION ALTANA PHARMA AG (DE) 2004-07-01 — — 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 (1 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-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion GIPR, VIP, SI ADORA2A 3793/4885ADORA1 1896/4885CDK1 1894/4885

“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.

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