SCHEMBL1500262

SCHEMBL1500262

CCC(=O)c1cn2cc(Br)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.51
APP P05067 5/20 0.44
MAP3K5 Q99683 1/20 0.44
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
METTL3 Q86U44 1/20 0.42
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
GAA P10253 1/20 0.40
EGLN1 Q9GZT9 2/20 0.40
PAX8 Q06710 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL1500263 0.82 PIK3CG (0.51) PIK3CGAPPMAP3K5KDM4EPOLB
SCHEMBL1500236 0.82 KDM4E (0.64) KDM4EPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL1500394 0.80 PTGS1 (0.57) PIK3CGAPPMAP3K5KDM4EPOLB
SCHEMBL19632006 0.80 RAB9A (0.42) KDM4EPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL29540016 0.79 PIK3CG (0.56) PIK3CGAPPMAP3K5KDM4EPOLB
SCHEMBL31295453 0.78 CYP1A2 (0.61) PIK3CGMAP3K5KDM4EPOLBNPC1
SCHEMBL1500335 0.78 PIK3CG (0.47) PIK3CGAPPMAP3K5KDM4EPOLB
SCHEMBL1553322 0.78 PIK3CG (0.47) PIK3CGAPPMAP3K5KDM4EPOLB
SCHEMBL24247758 0.78 APP (0.48) APPKDM4EPOLBNPC1RAB9A
SCHEMBL23534439 0.75 MAP3K5 (0.47) PIK3CGAPPMAP3K5KDM4EPOLB

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-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-30 US disclosed
US-7902369-B2 Diaryl-substituted five-membered heterocycle derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative MSD K.K. (JP) 2007-07-26 US disclosed
EP-1726585-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 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-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE OPRK1, GRM1, GRIK1 PIK3CG 3385/4885APP 1929/4885MAP3K5 1148/4885
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative OPRK1, OPRL1, GRM1 PIK3CG 2785/4885APP 2512/4885MAP3K5 1623/4885

“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.