SCHEMBL16735361

SCHEMBL16735361

Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1cccc2c(NC(C)(C)C)nccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 8/20 1.00
▸ KDR P35968 2/20 0.54
▸ PDGFRB P09619 1/20 0.54
▸ BRAF P15056 1/20 0.54
▸ PDGFRA P16234 1/20 0.54
▸ MAPT P10636 3/20 0.48
▸ ATM Q13315 1/20 0.48
▸ RIPK2 O43353 1/20 0.48
▸ PPARG P37231 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ TEK Q02763 1/20 0.47
▸ LMNA P02545 1/20 0.45
▸ CSF1R P07333 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL16735234 0.89 RAF1 (1.00) RAF1KDRPDGFRBBRAFPDGFRA
SCHEMBL16735372 0.84 RAF1 (0.87) RAF1KDRPDGFRBBRAFPDGFRA
SCHEMBL16735266 0.78 RAF1 (1.00) RAF1BRAFMAPTATMHTT
SCHEMBL22024691 0.77 RAF1 (0.60) RAF1KDRBRAFMAPTPPARG
SCHEMBL16735355 0.76 RAF1 (0.66) RAF1KDRPDGFRBBRAFPDGFRA
SCHEMBL16735233 0.75 RAF1 (1.00) RAF1KDRPDGFRBBRAFPDGFRA
SCHEMBL16735231 0.74 RAF1 (0.79) RAF1KDRPDGFRBBRAFPDGFRA
SCHEMBL16735267 0.73 RAF1 (0.55) RAF1MAPTKDM4ELMNAHDAC6
SCHEMBL13202901 0.73 HDAC1 (0.78) RAF1BRAFMAPTRIPK2KDM4E
SCHEMBL16735357 0.73 RAF1 (0.71) 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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