SCHEMBL4598305

SCHEMBL4598305

CN(C(=O)C(F)(F)F)c1ccccc1CN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 3/20 0.39
TACR1 P25103 2/20 0.38
RIPK1 Q13546 1/20 0.36
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESR1 P03372 1/20 0.33
KCNH2 Q12809 1/20 0.33
MLYCD O95822 1/20 0.33
CES1 P23141 1/20 0.33
PNMT P11086 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 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
SCHEMBL9049204 0.84 POLQ (0.39) POLQTACR1RIPK1CYP2C19KDM4E
SCHEMBL5008854 0.81 TSHR (0.38) RIPK1KDM4EALDH1A1TP53GAA
SCHEMBL2524320 0.80 RIPK1 (0.41) POLQRIPK1GPBAR1
SCHEMBL4611878 0.80 MLYCD (0.43) RIPK1ALDH1A1TP53GAASMN1; SMN2
SCHEMBL14115782 0.80 TSPO (0.47) POLQKDM4EALDH1A1TP53GAA
Hydrochloric Acid SCHEMBL17258978 0.78 KDM4E (0.37) POLQKDM4EALDH1A1TP53GAA
SCHEMBL28015438 0.78 PNMT (0.39) POLQKDM4EALDH1A1TP53GAA
Hydrochloric Acid SCHEMBL27926115 0.78 PNMT (0.39) POLQRIPK1KDM4EALDH1A1TP53
SCHEMBL17086037 0.76 PAX8 (0.40) POLQRIPK1CYP2C19KDM4EALDH1A1
SCHEMBL12942492 0.75 TACR1 (0.40) TACR1CYP2C19ALDH1A1TP53GAA

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-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
EP-1910298-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-04-16 EP disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 POLQ 3778/4885TACR1 2857/4885RIPK1 4010/4885

“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.