SCHEMBL161634

SCHEMBL161634

Cn1nc(Cl)cc(Nc2ccccn2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPK10 P53779 1/20 0.47
GFER P55789 1/20 0.47
MAT2A P31153 1/20 0.40
TDP2 O95551 2/20 0.40
CASP6 P55212 2/20 0.40
APAF1 O14727 1/20 0.40
CDC25B P30305 1/20 0.40
RCE1 Q9Y256 1/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
BLM P54132 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
SCHEMBL162573 0.82 MKNK2 (0.52)
SCHEMBL9270302 0.80 GRM5 (0.47) MEN1KMT2AMAPK10GFERMAT2A
SCHEMBL14912741 0.78 PIK3C3 (0.40) TYK2RIPK1JAK2
SCHEMBL708941 0.77 NPC1 (0.42) AURKAAURKBNPC1RAB9AKDM4E
SCHEMBL609443 0.76 HCAR3 (0.48)
SCHEMBL609544 0.76 BTK (0.42) AURKAAURKBTYK2BTKJAK2
SCHEMBL12602964 0.76 MEN1 (0.38) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL12602957 0.76 HPGD (0.38) KDM4ESRCBTKGRM5
SCHEMBL10255882 0.76 BTK (0.36) NPC1RAB9ATYK2SRCBTK
SCHEMBL608710 0.75 ALDH1A1 (0.43) AURKAAURKBMAPTBTKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975260-B2 Pyridazinones, method of making, and method of use thereof GENETECH, INC (US) 2015-03-10 US disclosed
US-20130261103-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-03 US disclosed
EP-2611798-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut, Inc. (US) 2013-07-10 EP disclosed
WO-2012030990-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. (US) 2012-03-08 WO disclosed
WO-2012030990-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. (US) 2012-03-08 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-20130261103-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, TYK2, LCK MEN1 2934/4885KMT2A 3117/4885MAPK10 413/4885

“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.