SCHEMBL178430

SCHEMBL178430

Cc1ccc(C(=O)NC2CC2)c(C)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.66
TAS1R1 Q7RTX1 3/20 0.66
TAS1R2 Q8TE23 3/20 0.66
NPC1 O15118 6/20 0.61
RAB9A P51151 5/20 0.61
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.51
F12 P00748 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL8210918 0.92 NPC1 (0.74) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL13162001 0.89 NPC1 (0.55) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL13162889 0.88 NPC1 (0.53) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL4066954 0.85 TAS1R3 (0.88) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL15341542 0.85 NPC1 (0.54) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL10282412 0.83 RAB9A (0.86) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL10282411 0.83 TAS1R3 (0.62) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL22720105 0.83 TAS1R3 (0.62) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL455691 0.83 RAB9A (0.53) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL3233932 0.83 NPC1 (0.53) TAS1R3TAS1R1TAS1R2NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150158864-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYR-ROLO[2,3-D]PYRIDINYL ACRYLAMIDES PFIZER INC. 2015-06-11 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 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 (2 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 TAS1R3 1218/4885TAS1R1 1469/4885TAS1R2 1346/4885
US-20150158864-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYR-ROLO[2,3-D]PYRIDINYL ACRYLAMIDES JAK2, JAK3, JAK1 TAS1R3 882/4885TAS1R1 1374/4885TAS1R2 950/4885

“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.