SCHEMBL16735362

SCHEMBL16735362

COc1ccc(Nc2nccc3c(C(=O)O)cccc23)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ CYP1A2 P05177 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ PKM P14618 1/20 0.47
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 7/20 0.43
▸ DHODH Q02127 4/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ TDO2 P48775 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL16735377 0.91 MAPT (0.50) GAASMN1; SMN2CYP1A2ALDH1A1HTT
SCHEMBL30401975 0.73 MAPT (0.63) SMN1; SMN2CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL24399727 0.73 MAPT (0.63) SMN1; SMN2CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL12501061 0.72 SMN1; SMN2 (1.00) GAASMN1; SMN2CYP1A2ALDH1A1HTT
SCHEMBL16735267 0.71 RAF1 (0.55) GAASMN1; SMN2CYP1A2ALDH1A1HTT
SCHEMBL23455423 0.69 AKR1C3 (0.60) GAASMN1; SMN2RAB9ANPC1MEN1
SCHEMBL30073952 0.69 AKR1C3 (0.60) GAASMN1; SMN2RAB9ANPC1MEN1
SCHEMBL2443393 0.68 CXCR2 (0.49) SMN1; SMN2ALDH1A1HTTNPC1MEN1
SCHEMBL2443395 0.68 PIM1 (0.43) GAASMN1; SMN2ALDH1A1HTTRAB9A
SCHEMBL12478150 0.67 RAB9A (1.00) GAASMN1; SMN2ALDH1A1HTTRAB9A

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 GAA 2471/4885SMN1; SMN2 2745/4885CYP1A2 4057/4885

“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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