SCHEMBL415170

SCHEMBL415170

CC(C)(C)c1ccc(-c2nncn2Cc2ccc(F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.45
OPRD1 P41143 1/20 0.41
CACNA1H O95180 1/20 0.41
QPCTL Q9NXS2 2/20 0.41
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
SMO Q99835 1/20 0.40
RIPK3 Q9Y572 1/20 0.39
KMT2A Q03164 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
NR1H4 Q96RI1 2/20 0.38

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
SCHEMBL28174136 0.75 SOS1 (0.47) P2RX7KMT2ACYP11B1CYP11B2
SCHEMBL417817 0.73 KMT2A (0.42) OPRD1CACNA1HHSP90AA1HSP90AB1SMO
SCHEMBL3593918 0.73 P2RX7 (0.78) P2RX7
SCHEMBL415764 0.72 RIPK3 (0.45) CACNA1HHSP90AA1HSP90AB1SMORIPK3
SCHEMBL12841486 0.71 P2RX7 (0.59) P2RX7QPCTLCYP11B1CYP11B2
SCHEMBL14476844 0.70 P2RX7 (0.54) P2RX7QPCTL
SCHEMBL2398286 0.70 QPCTL (0.62) P2RX7QPCTLKMT2A
SCHEMBL12245404 0.70 OPRD1 (0.51) OPRD1
SCHEMBL28174173 0.69 RAB9A (0.46) P2RX7CYP11B1CYP11B2
SCHEMBL14203996 0.68 CYP11B2 (0.44) P2RX7KMT2ACYP11B1CYP11B2

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-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 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-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 P2RX7 3474/4885OPRD1 1859/4885CACNA1H 1109/4885
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 P2RX7 3474/4885OPRD1 1859/4885CACNA1H 1109/4885

“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.