SCHEMBL4598712

SCHEMBL4598712

CC(C)Sc1cccnc1CNC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.37
ADORA1 P30542 3/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
CYP1A2 P05177 2/20 0.36
MAPT P10636 2/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL25283205 0.85 SSTR4 (0.34) ADORA2AADORA1SMN1; SMN2CYP1A2MAPT
SCHEMBL14008801 0.82 NAMPT (0.42) MAPTTSHRL3MBTL1CYP3A4HSD17B10
SCHEMBL28649930 0.78 ADORA2A (0.33) ADORA2AADORA1MAPTL3MBTL1ALDH1A1
SCHEMBL15174694 0.78 NPC1 (0.41) ADORA2AADORA1SMN1; SMN2CYP1A2MAPT
SCHEMBL15173994 0.77 ADORA2A (0.54) ADORA2AADORA1
SCHEMBL30023612 0.76 KDM4E (0.37) ADORA2AMAPTL3MBTL1KMT2AALDH1A1
SCHEMBL24058126 0.76 KDM4E (0.37) ADORA2AMAPTL3MBTL1KMT2AALDH1A1
SCHEMBL3078742 0.75 ADORA2A (0.39) ADORA2AADORA1SMN1; SMN2CYP1A2MAPT
SCHEMBL25734981 0.75 CHRM2 (0.33) L3MBTL1CYP3A4
SCHEMBL28986188 0.75 ADORA2A (0.32) ADORA2AADORA1L3MBTL1

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 ADORA2A 1249/4885ADORA1 243/4885SMN1; SMN2 4597/4885

“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.