SCHEMBL14800659

SCHEMBL14800659

FC(F)Oc1ccc(Nc2ncc(CCl)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.46
▸ ROCK1 Q13464 1/20 0.45
▸ SYK P43405 2/20 0.43
▸ GSK3A P49840 2/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ LMNA P02545 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TEAD4 Q15561 1/20 0.39
▸ BMI1 P35226 3/20 0.39
▸ GALR2 O43603 2/20 0.39
▸ GALR1 P47211 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL14800409 0.80 AURKA (0.43) GRM5ROCK1SYKLMNAKMT2A
SCHEMBL14800933 0.79 SYK (0.46) GRM5ROCK1SYKGSK3AGSK3B
SCHEMBL14800904 0.79 CTSC (0.54) SYK
SCHEMBL14800724 0.79 ROCK1 (0.48) GRM5ROCK1SYKLMNAKMT2A
SCHEMBL14804148 0.78 GRM5 (0.47) GRM5ROCK1SYKGSK3AGSK3B
Hydrochloric Acid SCHEMBL14800117 0.77 GRM5 (0.47) GRM5ROCK1SYKGSK3AGSK3B
SCHEMBL14801200 0.76 HDAC3 (0.53) GRM5KMT2AMEN1GAA
Hydrochloric Acid SCHEMBL14800138 0.74 HDAC3 (0.51) GRM5
SCHEMBL27785731 0.73 CHEK1 (0.46) GRM5ROCK1SYKGSK3AGSK3B
SCHEMBL962797 0.73 DAO (0.42) LMNAKMT2AMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760843-B1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-03-02 — — EP disclosed
US-8841301-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-23 — — US disclosed
EP-2760843-A2 SELECTIVE NR2B ANTAGONISTS Bristol-Myers Squibb Company (US) 2014-08-06 — — EP disclosed
WO-2013048949-A2 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — WO disclosed
US-20130079338-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 — — US 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-20130079338-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A GRM5 20/4885ROCK1 4322/4885SYK 2675/4885

“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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