SCHEMBL14800409

SCHEMBL14800409

Oc1ccc(CCc2cnc(Nc3ccc(OC(F)F)cc3)nc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 8/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ SYK P43405 2/20 0.41
▸ ROCK1 Q13464 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NLRP3 Q96P20 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TEAD4 Q15561 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ DAO P14920 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
SCHEMBL14800659 0.80 GRM5 (0.46) MEN1ALDH1A1KMT2AGRM5SYK
SCHEMBL14800724 0.76 ROCK1 (0.48) MEN1ALDH1A1KMT2AGRM5SYK
SCHEMBL14800933 0.74 SYK (0.46) AURKAMEN1ALDH1A1KMT2AGRM5
Carbamic Acid SCHEMBL14800970 0.72 ALKBH1 (0.44) MEN1ALDH1A1KMT2AGRM5ROCK1
SCHEMBL14800567 0.70 AURKA (0.48) AURKAMEN1KMT2ALMNAMAPT
SCHEMBL14800965 0.70 GSK3A (0.39) MEN1ALDH1A1KMT2AGRM5SYK
SCHEMBL14800896 0.70 LCK (0.47) MEN1ALDH1A1KMT2ASYKLMNA
SCHEMBL14800898 0.70 LCK (0.47) MEN1ALDH1A1KMT2ASYKLMNA
SCHEMBL755053 0.70 MEN1 (0.50) MEN1ALDH1A1KMT2ALMNANLRP3
SCHEMBL4638831 0.69 FPR2 (0.58) MEN1ALDH1A1KMT2ANLRP3

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 11 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
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
US-8841301-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-23 — — US 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
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
US-20130079338-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 — — US 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 AURKA 4251/4885MEN1 4539/4885ALDH1A1 1942/4885

“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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