SCHEMBL9038005

SCHEMBL9038005

COC(=O)c1[nH]nc(N)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.50
TSHR P16473 2/20 0.41
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
GFER P55789 1/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
ILK Q13418 3/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.35
MAPK10 P53779 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CSNK2A2 P19784 1/20 0.35
KDR P35968 1/20 0.35
CSNK2B P67870 1/20 0.35

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
SCHEMBL599593 0.81 ALDH1A1 (0.54) ALDH1A1HSD17B10GAAMAPTHPGD
SCHEMBL7902863 0.80 KDM4C (0.53) KDM4CTSHRALDH1A1HSD17B10GAA
SCHEMBL4650087 0.77 KDM4C (0.50) KDM4CTSHRALDH1A1HSD17B10GAA
SCHEMBL11205400 0.74 KDM4C (0.47) KDM4CALDH1A1HSD17B10MAPTHPGD
SCHEMBL6993979 0.73 KDM4C (0.65) KDM4CTSHRALDH1A1HSD17B10GAA
SCHEMBL11472383 0.73 GAA (0.49) KDM4CTSHRALDH1A1GAAMAPT
SCHEMBL20471480 0.73 KDM4C (0.46) KDM4CTSHRALDH1A1HSD17B10GAA
SCHEMBL28954059 0.72 KDM4C (0.49) KDM4CTSHRALDH1A1HSD17B10GAA
SCHEMBL8474076 0.72 KDM4C (0.41) KDM4CTSHRALDH1A1HSD17B10GAA
SCHEMBL9038036 0.72 KDM4C (0.49) KDM4CTSHRALDH1A1HSD17B10GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10220030-B2 Amino-quinolines as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-03-05 US disclosed
US-20180085365-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-03-29 US disclosed
US-20180085365-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-03-29 US disclosed
EP-0722446-A1 DISTAMYCIN A ANALOGUES AS ANTITUMOUR OR ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1996-07-24 EP disclosed
WO-1996005196-A1 DISTAMYCIN A ANALOGUES AS ANTITUMOUR OR ANTIVIRAL AGENTS PHARMACIA S.P.A. (IT) 1996-02-22 WO disclosed
EP-0138622-A2 8-substituted pyrazolopentathiepins and related compounds E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-24 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 (2 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-10220030-B2 Amino-quinolines as kinase inhibitors ABL1, MAP3K3, MAP3K7 KDM4C 707/4885TSHR 1809/4885ALDH1A1 3743/4885
US-20180085365-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K3, MAP3K7 KDM4C 707/4885TSHR 1809/4885ALDH1A1 3743/4885

“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.