SCHEMBL16735363

SCHEMBL16735363

Cc1cc(C)nc(NC(=O)c2ccc(C)c(NC(=O)c3cccc4c(N)nccc34)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 8/20 0.64
▸ PDGFRB P09619 1/20 0.59
▸ BRAF P15056 1/20 0.59
▸ PDGFRA P16234 1/20 0.59
▸ KDR P35968 1/20 0.59
▸ KMT2A Q03164 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNB4 P30926 1/20 0.44
▸ CHRNA3 P32297 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ MAPK14 Q16539 2/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ LCK P06239 1/20 0.42

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
SCHEMBL16735265 0.82 RAF1 (0.81) RAF1PDGFRBBRAFPDGFRAKDR
SCHEMBL16735233 0.78 RAF1 (1.00) RAF1PDGFRBBRAFPDGFRAKDR
SCHEMBL16735269 0.76 RAF1 (1.00) RAF1PDGFRBBRAFPDGFRAKDR
SCHEMBL16735231 0.76 RAF1 (0.79) RAF1PDGFRBBRAFPDGFRAKDR
SCHEMBL16735230 0.75 BRAF (1.00) RAF1PDGFRBBRAFPDGFRAKDR
SCHEMBL16735229 0.73 RAF1 (1.00) RAF1PDGFRBBRAFPDGFRAKDR
SCHEMBL16735369 0.70 RAF1 (1.00) RAF1PDGFRBBRAFPDGFRAKDR
SCHEMBL16735349 0.69 RAF1 (0.81) RAF1PDGFRBBRAFPDGFRAKDR
SCHEMBL16735361 0.69 RAF1 (1.00) RAF1PDGFRBBRAFPDGFRAKDR
SCHEMBL12501882 0.69 LCK (0.64) NPC1RAB9AKDM4EMAPTCHRNB2

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 96/4885PDGFRB 2562/4885BRAF 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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