SCHEMBL16735357

SCHEMBL16735357

COc1ccc(Nc2nccc3c(C(=O)Nc4cc(C(=O)Nc5cccc(C(F)(F)F)c5)ccc4C)cccc23)nc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 6/20 0.71
▸ KDR P35968 3/20 0.58
▸ PDGFRB P09619 1/20 0.58
▸ BRAF P15056 1/20 0.58
▸ PDGFRA P16234 1/20 0.58
▸ LCK P06239 3/20 0.56
▸ MAPK14 Q16539 3/20 0.56
▸ MAPT P10636 3/20 0.55
▸ POLB P06746 2/20 0.55
▸ APEX1 P27695 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ CSF1R P07333 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ KIT P10721 2/20 0.53
▸ RXFP1 Q9HBX9 2/20 0.53
▸ SRC P12931 1/20 0.53
▸ DDR1 Q08345 1/20 0.52
▸ DDR2 Q16832 1/20 0.52
▸ HTT P42858 1/20 0.51

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
SCHEMBL16735264 0.94 BRAF (0.67) RAF1KDRPDGFRBBRAFPDGFRA
SCHEMBL16735232 0.92 RAF1 (0.66) RAF1KDRPDGFRBBRAFPDGFRA
SCHEMBL16735234 0.83 RAF1 (1.00) RAF1KDRPDGFRBBRAFPDGFRA
SCHEMBL16735233 0.80 RAF1 (1.00) RAF1KDRPDGFRBBRAFPDGFRA
SCHEMBL16735372 0.77 RAF1 (0.87) RAF1KDRPDGFRBBRAFPDGFRA
SCHEMBL16735230 0.74 BRAF (1.00) RAF1KDRPDGFRBBRAFPDGFRA
SCHEMBL12432595 0.73 BRAF (0.57) RAF1KDRBRAFLCKMAPK14
SCHEMBL16735361 0.73 RAF1 (1.00) RAF1KDRPDGFRBBRAFPDGFRA
SCHEMBL12518523 0.72 LCK (0.64) RAF1KDRBRAFLCKMAPK14
SCHEMBL16735265 0.72 RAF1 (0.81) RAF1KDRPDGFRBBRAFPDGFRA

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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