SCHEMBL16735360

SCHEMBL16735360

Nc1nccc2c(C(=O)Nc3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)cccc12

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 6/20 0.79
▸ KDR P35968 2/20 0.76
▸ PDGFRB P09619 1/20 0.76
▸ BRAF P15056 1/20 0.76
▸ PDGFRA P16234 1/20 0.76
▸ RIPK1 Q13546 1/20 0.61
▸ MAPT P10636 4/20 0.59
▸ RXFP1 Q9HBX9 4/20 0.58
▸ PTGS1 P23219 2/20 0.57
▸ LCK P06239 2/20 0.55
▸ KIT P10721 1/20 0.55
▸ MAPK14 Q16539 1/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ TEK Q02763 1/20 0.54

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 0.89 RAF1 (1.00) RAF1KDRPDGFRBBRAFPDGFRA
SCHEMBL16735230 0.87 BRAF (1.00) RAF1KDRPDGFRBBRAFPDGFRA
SCHEMBL16735369 0.82 RAF1 (1.00) RAF1KDRPDGFRBBRAFPDGFRA
SCHEMBL3113627 0.81 PTGS1 (0.68) RAF1MAPTRXFP1PTGS1KDM4E
SCHEMBL16735236 0.78 RAF1 (0.66) RAF1KDRPDGFRBBRAFPDGFRA
SCHEMBL30402032 0.78 RAF1 (0.66) RAF1KDRPDGFRBBRAFPDGFRA
SCHEMBL16735265 0.77 RAF1 (0.81) RAF1KDRPDGFRBBRAFPDGFRA
SCHEMBL4286068 0.76 MAPT (0.94) MAPTRXFP1PTGS1MEN1TSHR
SCHEMBL16735231 0.76 RAF1 (0.79) RAF1KDRPDGFRBBRAFPDGFRA
SCHEMBL6430912 0.76 MAPT (0.81) MAPTRXFP1PTGS1LCKMEN1

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 8 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-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 96/4885KDR 1778/4885PDGFRB 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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