SCHEMBL16735237

SCHEMBL16735237

COC(=O)c1cccc2c(NC(C)(C)C)nccc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PSMD14 O00487 1/20 0.52
▸ RAF1 P04049 2/20 0.51
▸ KDM4E B2RXH2 5/20 0.45
▸ MAP2K1 Q02750 1/20 0.43
▸ SLC40A1 Q9NP59 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ PIM1 P11309 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ATR Q13535 1/20 0.38

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
SCHEMBL16735267 0.86 RAF1 (0.55) PSMD14RAF1KDM4EMAPTTDP1
SCHEMBL16735228 0.77 PSMD14 (0.54) PSMD14KDM4EMAP2K1SLC40A1MAPT
SCHEMBL70429 0.76 LMNA (0.59) PSMD14KDM4EMAPTPOLBATM
SCHEMBL16735377 0.74 MAPT (0.50) PSMD14KDM4EMAPTPIM1PIM2
SCHEMBL11260165 0.73 PSMD14 (0.50) PSMD14KDM4EMAP2K1SLC40A1MAPT
SCHEMBL69886 0.73 PSMD14 (0.73) PSMD14KDM4EMAP2K1SLC40A1POLB
SCHEMBL15414525 0.71 KDM4E (0.60) PSMD14KDM4EMAP2K1SLC40A1POLB
SCHEMBL3230050 0.70 NR4A2 (0.53) PSMD14KDM4EMAPTPOLBATM
SCHEMBL827213 0.70 KDM4E (0.59) PSMD14KDM4EMAP2K1MAPTTDP1
SCHEMBL25377229 0.70 MAPT (0.66) KDM4EMAPTLMNATSHR

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 3 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 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 PSMD14 2783/4885RAF1 96/4885KDM4E 1369/4885

“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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