SCHEMBL10036804

SCHEMBL10036804

CC=CC(=O)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 0.63
CYP1A2 P05177 6/20 0.63
CYP1B1 Q16678 6/20 0.63
CYP3A4 P08684 4/20 0.63
CYP2D6 P10635 4/20 0.63
MAPT P10636 5/20 0.58
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 3/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
APP P05067 2/20 0.55
GPR52 Q9Y2T5 1/20 0.55
GSK3B P49841 1/20 0.55
GAA P10253 1/20 0.55
HCAR3 P49019 1/20 0.55
HCAR2 Q8TDS4 1/20 0.55
NPC1 O15118 1/20 0.54
NFKB1 P19838 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL166048 1.00 CYP1A1 (0.63) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL27497512 0.83 CYP1A1 (0.65) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL10036802 0.83 CYP1A1 (0.65) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL17745504 0.81 CYP1A1 (0.63) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL27494751 0.81 CYP1A1 (0.63) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL10001058 0.81 CYP1A1 (0.63) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL10735166 0.81 CYP1A1 (0.68) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL10735172 0.81 CYP1A1 (0.68) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL14305651 0.81 MAPT (0.61) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL29364482 0.81 HTT (0.65) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6

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-8334381-B2 Process for the preparation of intermediates useful in the synthesis of imatinib F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2012-12-18 US disclosed
US-8168787-B2 Process for the preparation of imatinib and intermediates thereof F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2012-05-01 US disclosed
US-20100234598-A1 PROCESS FOR THE PREPARATION OF IMATINIB AND INTERMEDIATES THEREOF FALCHI ALESSANDRO 2010-09-16 US disclosed
US-20100076189-A1 PROCESS FOR THE PREPARATION OF IMATINIB AND INTERMEDIATES THEREOF F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2010-03-25 US disclosed
US-3969363-A CARDIOVASCULAR DISORDERS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-07-13 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-20100076189-A1 PROCESS FOR THE PREPARATION OF IMATINIB AND INTERMEDIATES THEREOF ABL1, PDGFRA, ABL2 CYP1A1 386/4885CYP1A2 325/4885CYP1B1 152/4885
US-20100234598-A1 PROCESS FOR THE PREPARATION OF IMATINIB AND INTERMEDIATES THEREOF ABL1, PDGFRA, ABL2 CYP1A1 386/4885CYP1A2 325/4885CYP1B1 152/4885

“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.