SCHEMBL1965028

SCHEMBL1965028

Cc1c(C(=O)O)c(=O)n(-c2cccc(F)c2)n1C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
TSHR P16473 1/20 0.55
NOTUM Q6P988 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DPP4 P27487 1/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
RAB9A P51151 1/20 0.46
FPR2 P25090 1/20 0.45
HTR7 P34969 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL12488827 0.84 PKM (0.55) ALDH1A1NOTUML3MBTL1TP53DPP4
SCHEMBL197736 0.84 ALDH1A1 (0.65) ALDH1A1TSHRTP53HSD17B10DPP4
SCHEMBL367875 0.82 FPR2 (0.52) ALDH1A1TSHRNOTUMTP53HSD17B10
SCHEMBL2109064 0.73 ALDH1A1 (0.63) ALDH1A1TSHRTP53HSD17B10DPP4
SCHEMBL1717732 0.73 NOTUM (0.54) ALDH1A1TSHRNOTUML3MBTL1HSD17B10
SCHEMBL1719195 0.72 KDM4E (0.62) ALDH1A1TSHRTP53HSD17B10DPP4
SCHEMBL22418510 0.72 ALDH1A1 (0.61) ALDH1A1TSHRL3MBTL1TP53HSD17B10
SCHEMBL2047520 0.72 ALDH1A1 (0.61) ALDH1A1TSHRTP53HSD17B10DPP4
SCHEMBL27656976 0.71 ALDH1A1 (0.56) ALDH1A1TSHRTP53HSD17B10DPP4
SCHEMBL17460926 0.71 L3MBTL1 (0.50) ALDH1A1TSHRL3MBTL1TP53HSD17B10

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 4 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-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
EP-2336123-A2 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR Neopharm Co., Ltd. (KR) 2011-06-22 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-20110183983-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR MET, HGFAC, DMPK ALDH1A1 3427/4885TSHR 2560/4885NOTUM 2575/4885
US-20120289509-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR MET, HGFAC, DMPK ALDH1A1 3427/4885TSHR 2560/4885NOTUM 2575/4885

“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.