SCHEMBL16735349

SCHEMBL16735349

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cccc5c(N)nccc45)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 4/20 0.81
▸ HTT P42858 4/20 0.75
▸ ATM Q13315 2/20 0.75
▸ MAPK1 P28482 2/20 0.75
▸ KMT2A Q03164 2/20 0.72
▸ BRAF P15056 4/20 0.63
▸ EGFR P00533 2/20 0.63
▸ PDGFRB P09619 1/20 0.63
▸ PDGFRA P16234 1/20 0.63
▸ KDR P35968 1/20 0.63
▸ MAPT P10636 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ CLK1 P49759 1/20 0.61

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
SCHEMBL16735266 0.90 RAF1 (1.00) RAF1HTTATMMAPK1KMT2A
SCHEMBL3643374 0.90 HTT (0.70) RAF1HTTATMMAPK1KMT2A
SCHEMBL12786679 0.87 ATM (0.66) RAF1HTTATMMAPK1KMT2A
SCHEMBL4789121 0.85 ATM (0.79) RAF1HTTATMMAPK1KMT2A
SCHEMBL16735269 0.83 RAF1 (1.00) RAF1HTTATMMAPK1BRAF
SCHEMBL13878758 0.81 HTT (0.74) HTTATMMAPK1BRAFEGFR
SCHEMBL2314878 0.81 ATM (0.69) RAF1HTTATMMAPK1KMT2A
SCHEMBL13459841 0.80 RET (0.58) RAF1HTTATMMAPK1BRAF
SCHEMBL16735233 0.79 RAF1 (1.00) RAF1HTTATMBRAFPDGFRB
SCHEMBL3389535 0.79 HTT (0.71) HTTATMMAPK1KMT2ABRAF

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 96/4885HTT 4110/4885ATM 748/4885

“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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