SCHEMBL14800394

SCHEMBL14800394

C[Si](C)(C)CCOCn1c(=O)ccc2cc(C=Cc3cnc(Nc4ccc(OC(F)F)cc4)nc3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 12/20 0.37
▸ CCND1 P24385 12/20 0.37
▸ CCND2 P30279 12/20 0.37
▸ CCND3 P30281 12/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ CCNB2 O95067 1/20 0.35
▸ CCNE2 O96020 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ FGFR2 P21802 1/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ CCNB3 Q8WWL7 1/20 0.35
▸ BMI1 P35226 4/20 0.33
▸ SYK P43405 1/20 0.32

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
SCHEMBL14800393 1.00 CDK4 (0.37) CDK4CCND1CCND2CCND3GRM5
SCHEMBL14800247 0.88 P2RX3 (0.37) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL14800249 0.88 P2RX3 (0.37) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL14800991 0.85 GRM5 (0.39) CDK4CCND1CCND2CCND3GRM5
SCHEMBL14816286 0.79 PDE4B (0.31) —
SCHEMBL14816285 0.79 PDE4B (0.31) —
SCHEMBL14800491 0.76 P2RX3 (0.40) CDK4CCND1CCND2CCND3
SCHEMBL14818895 0.74 TNIK (0.40) GRM5
SCHEMBL14837781 0.73 P2RX3 (0.33) —
SCHEMBL14800966 0.72 NPC1 (0.40) NPC1

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 3 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
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 CDK4 3036/4885CCND1 4177/4885CCND2 3658/4885

“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.

Send feedback