SCHEMBL14800965

SCHEMBL14800965

O=C(O)Nc1n[c]nc(NC(=O)O)c1OCc1cnc(Nc2ccc(OC(F)F)cc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ TEAD4 Q15561 1/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ ALKBH1 Q13686 1/20 0.36
▸ AGTR1 P30556 1/20 0.35
▸ NLRP3 Q96P20 1/20 0.35
▸ SYK P43405 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ BMI1 P35226 1/20 0.34
▸ P2RX3 P56373 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
Carbamic Acid SCHEMBL14800970 0.81 ALKBH1 (0.44) GSK3AGSK3BALDH1A1KMT2AMAPT
SCHEMBL14800724 0.72 ROCK1 (0.48) ALDH1A1KMT2AMAPTMEN1TEAD4
SCHEMBL14800833 0.71 LMNA (0.44) ALDH1A1KMT2AMEN1LMNA
SCHEMBL14800659 0.70 GRM5 (0.46) GSK3AGSK3BALDH1A1KMT2AMAPT
SCHEMBL14800409 0.70 AURKA (0.43) ALDH1A1KMT2AMAPTMEN1TEAD4
SCHEMBL14818909 0.69 GRM5 (0.42) GSK3AGSK3BALDH1A1KMT2AMAPT
SCHEMBL3650318 0.67 CSNK2A1 (0.60) GSK3AGSK3BALDH1A1KMT2AMAPT
SCHEMBL3714311 0.67 ALDH1A1 (0.66) ALDH1A1KMT2AMAPTMEN1TEAD4
SCHEMBL14800898 0.66 LCK (0.47) GSK3BALDH1A1KMT2AMAPTMEN1
SCHEMBL14800896 0.66 LCK (0.47) GSK3BALDH1A1KMT2AMAPTMEN1

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 GSK3A 2239/4885GSK3B 2240/4885ALDH1A1 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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