SCHEMBL16735231

SCHEMBL16735231

Cc1ccc(C(=O)Nc2cccc(C(C)(C)C#N)c2)cc1NC(=O)c1cccc2c(N)nccc12

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 7/20 0.79
▸ BRAF P15056 11/20 0.68
▸ PDGFRB P09619 1/20 0.68
▸ PDGFRA P16234 1/20 0.68
▸ KDR P35968 1/20 0.68
▸ MAPT P10636 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ HCK P08631 1/20 0.55
▸ NR2C2 P49116 1/20 0.55
▸ BTK Q06187 1/20 0.55
▸ CYP2C9 P11712 4/20 0.54
▸ ATM Q13315 1/20 0.49

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
SCHEMBL16735233 0.88 RAF1 (1.00) RAF1BRAFPDGFRBPDGFRAKDR
SCHEMBL16735230 0.81 BRAF (1.00) RAF1BRAFPDGFRBPDGFRAKDR
SCHEMBL16735269 0.80 RAF1 (1.00) RAF1BRAFPDGFRBPDGFRAKDR
SCHEMBL16735369 0.78 RAF1 (1.00) RAF1BRAFPDGFRBPDGFRAKDR
SCHEMBL5216137 0.78 KDM4E (0.66) RAF1BRAFPDGFRBPDGFRAKDR
SCHEMBL16735265 0.78 RAF1 (0.81) RAF1BRAFPDGFRBPDGFRAKDR
SCHEMBL16735234 0.77 RAF1 (1.00) RAF1BRAFPDGFRBPDGFRAKDR
SCHEMBL16735360 0.76 RAF1 (0.79) RAF1BRAFPDGFRBPDGFRAKDR
SCHEMBL16735363 0.76 RAF1 (0.64) RAF1BRAFPDGFRBPDGFRAKDR
SCHEMBL16137327 0.76 DDR2 (0.62) RAF1BRAFHCKNR2C2BTK

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
US-9388165-B2 Isoquinoline-5-carboxamide derivative having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2016-07-12 — — US claimed
US-20150191450-A1 ISOQUINOLINE-5-CARBOXAMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM. CO., LTD. (KR) 2015-07-09 — — US claimed
US-9388165-B2 Isoquinoline-5-carboxamide derivative having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2016-07-12 — — US disclosed
US-9388165-B2 Isoquinoline-5-carboxamide derivative having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2016-07-12 — — US disclosed
US-20150191450-A1 ISOQUINOLINE-5-CARBOXAMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM. CO., LTD. (KR) 2015-07-09 — — US disclosed
US-20150191450-A1 ISOQUINOLINE-5-CARBOXAMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM. CO., LTD. (KR) 2015-07-09 — — US disclosed
EP-2876107-A1 ISOQUINOLINE-5-CARBOXAMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2015-05-27 — — EP 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-20150191450-A1 ISOQUINOLINE-5-CARBOXAMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE CSNK1A1, MAP3K5, MAP4K2 RAF1 96/4885BRAF 204/4885PDGFRB 2562/4885

“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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