SCHEMBL6115343

SCHEMBL6115343

Cn1cc(CC2=N[N]C(=O)c3ccccc32)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.58
▸ HTR2A P28223 1/20 0.49
▸ CMA1 P23946 4/20 0.46
▸ CCKBR P32239 2/20 0.45
▸ AHR P35869 2/20 0.43
▸ CA2 P00918 1/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CCNE2 O96020 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CCNE1 P24864 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
SCHEMBL5881100 0.75 GPR84 (1.00) GPR84HTR2ACMA1AHRCA2
SCHEMBL256689 0.70 GPR84 (0.74) GPR84HTR2AAHRCA2KEAP1
SCHEMBL12850750 0.70 GPR84 (0.79) GPR84HTR2ACMA1AHRCA2
SCHEMBL9569910 0.70 PTPN1 (0.40) —
SCHEMBL20548794 0.69 GPR84 (0.71) GPR84HTR2ACMA1AHRCA2
SCHEMBL7004405 0.69 HTR2A (0.73) GPR84HTR2ACA2KEAP1NFE2L2
SCHEMBL9889542 0.68 HTR2A (0.71) GPR84HTR2AAHRCA2KEAP1
SCHEMBL3257855 0.67 GPR84 (0.68) GPR84HTR2AAHRCA2KEAP1
SCHEMBL1094688 0.67 GPR84 (0.74) GPR84HTR2AAHRCA2KEAP1
SCHEMBL11359977 0.66 HTR2A (0.69) GPR84HTR2AAHRCA2KEAP1

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
EP-2323991-B1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-05-31 — — EP disclosed
US-8969348-B2 Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-03-03 — — US disclosed
US-20120129863-A1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 — — 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 (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-20120129863-A1 CHYMASE INHIBITORS CMA1, CPA3, SERPINB1 GPR84 3124/4885HTR2A 1756/4885CMA1 1/4885

“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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