SCHEMBL3326596

SCHEMBL3326596

O=C(Nc1ccc(C2=NNCC2)cc1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
KIT P10721 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
ACHE P22303 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL3328120 0.82 KDR (0.40) KMT2AMAPTALDH1A1POLBKIT
SCHEMBL11481534 0.81 KCNH2 (0.56) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL3328090 0.78 ALDH1A1 (0.46) KMT2AALDH1A1POLBKITKDR
SCHEMBL8245334 0.74 NISCH (0.35) NPC1RAB9ACA12CA1CA2
SCHEMBL13770015 0.72 NISCH (0.46) KITKDRFLT3
Hydrochloric Acid SCHEMBL3327730 0.71 MAPT (0.33) MAPTSMN1; SMN2
SCHEMBL2974218 0.71 RAB9A (0.44) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL8755361 0.70 RAB9A (0.71) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL6771534 0.69 HTR2A (0.38) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3324137 0.69 KIF11 (0.47) MEN1KMT2ACA12CA1CA2

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
EP-2148865-B1 PYRAZOLE INHIBITORS OF WNT SIGNALING GENENTECH INC (US) 2017-05-17 EP disclosed
US-20100137394-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING GRENENTECH, INC. (US) 2010-06-03 US disclosed
EP-2148865-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING Genentech, Inc. (US) 2010-02-03 EP disclosed
WO-2008137408-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING GENENTECH, INC. (US) 2008-11-13 WO 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-20100137394-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING WNT1, WNT3A, CTNNB1 NPC1 1564/4885RAB9A 624/4885MEN1 2528/4885

“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.