SCHEMBL2168491

SCHEMBL2168491

Cn1c(-c2ccccc2)c(C=O)c(=O)n1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
LMNA P02545 2/20 0.51
TGFBR1 P36897 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRD4 O60885 2/20 0.40
KDM4E B2RXH2 2/20 0.37
MAOA P21397 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CYP2C19 P33261 2/20 0.36
CDK8 P49336 1/20 0.36
ACVR1 Q04771 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA3 P34903 2/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL200942 0.77 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2KDM4EGAA
SCHEMBL8659535 0.74 ALDH1A1 (0.69) ALDH1A1LMNASMN1; SMN2BRD4KDM4E
SCHEMBL11651846 0.73 CDK8 (0.45) ALDH1A1LMNATGFBR1BRD4KDM4E
SCHEMBL199632 0.70 CYP2C19 (0.45) ALDH1A1LMNATGFBR1SMN1; SMN2BRD4
SCHEMBL14003878 0.70 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2MAOAGAA
SCHEMBL17290521 0.69 ALDH1A1 (0.67) ALDH1A1LMNASMN1; SMN2BRD4KDM4E
SCHEMBL29952393 0.69 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2KDM4EMAOA
SCHEMBL19209467 0.68 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2KDM4EHPGD
SCHEMBL1429358 0.68 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2KDM4EHPGD
SCHEMBL27176107 0.66 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2BRD4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957102-B2 Heterocyclic compound as protein kinase inhibitor NEOPHARM CO., LTD. (KR) 2015-02-17 US disclosed
US-8957102-B2 Heterocyclic compound as protein kinase inhibitor NEOPHARM CO., LTD. (KR) 2015-02-17 US disclosed
US-8957102-B2 Heterocyclic compound as protein kinase inhibitor NEOPHARM CO., LTD. (KR) 2015-02-17 US disclosed
US-20120289509-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2012-11-15 US disclosed
US-20120289509-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2012-11-15 US disclosed
US-20120289509-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2012-11-15 US disclosed
US-20110183983-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2011-07-28 US disclosed
US-20110183983-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2011-07-28 US disclosed
US-20110183983-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2011-07-28 US disclosed
WO-2010044543-A2 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR 주식회사 네오팜 (KR) 2010-04-22 WO 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-20110183983-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR MET, HGFAC, DMPK ALDH1A1 3427/4885LMNA 3863/4885TGFBR1 1882/4885
US-20120289509-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR MET, HGFAC, DMPK ALDH1A1 3427/4885LMNA 3863/4885TGFBR1 1882/4885

“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.