SCHEMBL10186557

SCHEMBL10186557

CCn1ccc(Nc2cc(Cl)nn(C)c2=O)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
IGF1R P08069 9/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX2 P34913 1/20 0.34
RAF1 P04049 1/20 0.34
PDE10A Q9Y233 1/20 0.33
MAPK14 Q16539 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
GCK P35557 1/20 0.32

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
SCHEMBL610994 0.84 IGF1R (0.36) IGF1RSMN1; SMN2KMT2ARAF1
SCHEMBL708941 0.83 NPC1 (0.42) NPC1RAB9AIGF1RSMN1; SMN2PDE10A
SCHEMBL24374823 0.81 BTK (0.41)
SCHEMBL612207 0.77 P2RX3 (0.38) TSHRALDH1A1
SCHEMBL612206 0.77 P2RX3 (0.38) TSHRALDH1A1
SCHEMBL255552 0.75 EPHX2 (0.34) NPC1RAB9AIGF1RSMN1; SMN2POLB
SCHEMBL608710 0.73 ALDH1A1 (0.43) IGF1RALDH1A1MAPT
SCHEMBL161634 0.73 MEN1 (0.47) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL162573 0.72 MKNK2 (0.52)
SCHEMBL609133 0.72 BRAF (0.41) KMT2AMAPT

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 7 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-8975260-B2 Pyridazinones, method of making, and method of use thereof GENETECH, INC (US) 2015-03-10 US disclosed
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
US-20130261103-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-03 US disclosed
US-20130261103-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-03 US 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 NPC1 4530/4885RAB9A 3837/4885IGF1R 1964/4885

“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.