SCHEMBL16735233

SCHEMBL16735233

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 7/20 1.00
▸ KDR P35968 4/20 0.87
▸ BRAF P15056 2/20 0.87
▸ PDGFRB P09619 1/20 0.87
▸ PDGFRA P16234 1/20 0.87
▸ MAPT P10636 3/20 0.73
▸ KDM4E B2RXH2 2/20 0.73
▸ ATM Q13315 1/20 0.63
▸ CSF1R P07333 2/20 0.62
▸ POLB P06746 2/20 0.62
▸ KIT P10721 4/20 0.62
▸ MAPK14 Q16539 4/20 0.62
▸ LCK P06239 3/20 0.62
▸ SRC P12931 1/20 0.62
▸ HTT P42858 1/20 0.61
▸ APEX1 P27695 1/20 0.59

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
SCHEMBL16735230 0.93 BRAF (1.00) RAF1KDRBRAFPDGFRBPDGFRA
SCHEMBL16735369 0.90 RAF1 (1.00) RAF1KDRBRAFPDGFRBPDGFRA
SCHEMBL16735265 0.89 RAF1 (0.81) RAF1KDRBRAFPDGFRBPDGFRA
SCHEMBL16735360 0.89 RAF1 (0.79) RAF1KDRBRAFPDGFRBPDGFRA
SCHEMBL16735231 0.88 RAF1 (0.79) RAF1KDRBRAFPDGFRBPDGFRA
SCHEMBL16735234 0.87 RAF1 (1.00) RAF1KDRBRAFPDGFRBPDGFRA
SCHEMBL16735269 0.86 RAF1 (1.00) RAF1KDRBRAFPDGFRBPDGFRA
SCHEMBL16735229 0.84 RAF1 (1.00) RAF1KDRBRAFPDGFRBPDGFRA
SCHEMBL16735354 0.81 RAF1 (0.82) RAF1KDRBRAFPDGFRBPDGFRA
SCHEMBL16735357 0.80 RAF1 (0.71) RAF1KDRBRAFPDGFRBPDGFRA

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 9 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
EP-2876107-A1 ISOQUINOLINE-5-CARBOXAMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2015-05-27 — — EP claimed
US-20230346820-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF SARS-COV-2 THE SCRIPPS RESEARCH INSTITUTE 2023-11-02 — — 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-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 (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-20230346820-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF SARS-COV-2 ACE2, SARS1, ACE RAF1 3777/4885KDR 4852/4885BRAF 4695/4885
US-20150191450-A1 ISOQUINOLINE-5-CARBOXAMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE CSNK1A1, MAP3K5, MAP4K2 RAF1 96/4885KDR 1778/4885BRAF 204/4885

“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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