SCHEMBL16735229

SCHEMBL16735229

Cc1cn(-c2cc(NC(=O)c3ccc(C)c(NC(=O)c4cccc5c(N)nccc45)c3)cc(C(F)(F)F)c2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 6/20 1.00
▸ EPHB2 P29323 2/20 0.66
▸ PDGFRB P09619 3/20 0.65
▸ BRAF P15056 2/20 0.65
▸ PDGFRA P16234 2/20 0.65
▸ KDR P35968 2/20 0.65
▸ NR2E1 Q9Y466 3/20 0.64
▸ ABL1 P00519 6/20 0.61
▸ LDLR P01130 3/20 0.61
▸ KIT P10721 3/20 0.61
▸ PCSK9 Q8NBP7 3/20 0.61
▸ HCK P08631 2/20 0.59
▸ NR2C2 P49116 1/20 0.59
▸ BTK Q06187 1/20 0.59
▸ OPRK1 P41145 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ BCR P11274 3/20 0.59
▸ ADORA3 P0DMS8 2/20 0.59
▸ EPHB6 O15197 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
SCHEMBL16735233 0.84 RAF1 (1.00) RAF1PDGFRBBRAFPDGFRAKDR
SCHEMBL30546654 0.82 EPHB2 (0.74) RAF1EPHB2PDGFRBBRAFPDGFRA
SCHEMBL16867179 0.82 EPHB2 (0.74) RAF1EPHB2PDGFRBBRAFPDGFRA
SCHEMBL28382296 0.82 EPHB2 (0.77) RAF1EPHB2PDGFRBBRAFPDGFRA
SCHEMBL30546751 0.82 EPHB2 (0.77) RAF1EPHB2PDGFRBBRAFPDGFRA
SCHEMBL20502614 0.81 ABL1 (0.81) RAF1EPHB2PDGFRBBRAFPDGFRA
SCHEMBL22065195 0.81 EPHB2 (0.75) RAF1EPHB2PDGFRBBRAFPDGFRA
SCHEMBL4254144 0.80 NR2E1 (0.73) RAF1EPHB2PDGFRBNR2E1ABL1
SCHEMBL12432625 0.80 RAF1 (0.66) RAF1EPHB2PDGFRBBRAFKDR
SCHEMBL16735265 0.79 RAF1 (0.81) RAF1PDGFRBBRAFPDGFRAKDR

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 96/4885EPHB2 4620/4885PDGFRB 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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