SCHEMBL3328090

SCHEMBL3328090

CNC(=O)Nc1ccc(C2=NNCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 1/20 0.45
MTOR P42345 3/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CG P48736 2/20 0.42
POLB P06746 2/20 0.42
PIP4K2A P48426 2/20 0.42
PIP4K2B P78356 2/20 0.42
KDR P35968 4/20 0.40
FLT3 P36888 4/20 0.40
BCL2 P10415 1/20 0.39
BECN1 Q14457 1/20 0.39
NISCH Q9Y2I1 1/20 0.38
KIT P10721 2/20 0.38
PIK3CD O00329 1/20 0.37
PLK4 O00444 1/20 0.37
ROCK2 O75116 1/20 0.37
NTRK1 P04629 1/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37

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 0.91 KDR (0.40) ALDH1A1KMT2AMTORPIK3CAPIK3CG
SCHEMBL8245334 0.83 NISCH (0.35) ALDH1A1POLBKDRFLT3NISCH
SCHEMBL3326596 0.78 NPC1 (0.47) ALDH1A1KMT2APOLBKDRFLT3
SCHEMBL9115941 0.77 AXL (0.53) ALDH1A1KMT2AMTORPIK3CAPIK3CG
SCHEMBL10805900 0.73 ALDH1A1 (0.43) ALDH1A1KMT2AMTORPIK3CAPIK3CG
SCHEMBL10155599 0.73 ALDH1A1 (0.78) ALDH1A1KMT2APOLBPIP4K2APIP4K2B
SCHEMBL3324137 0.73 KIF11 (0.47) ALDH1A1KMT2APOLBPIP4K2APIP4K2B
SCHEMBL6768059 0.70 KDR (0.43) ALDH1A1KMT2AKDRNISCHKDM4E
SCHEMBL3325615 0.70 QDPR (0.41) ALDH1A1KMT2AMTORPOLBKDM4E
SCHEMBL11177479 0.69 MDM2 (0.59) ALDH1A1KMT2APIP4K2APIP4K2BROCK2

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 ALDH1A1 1479/4885KMT2A 3775/4885MTOR 87/4885

“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.