SCHEMBL4412040

SCHEMBL4412040

Cc1ccc(N)cc1-c1ncccc1Nc1ncccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.46
BCR P11274 2/20 0.46
RET P07949 2/20 0.45
LCK P06239 1/20 0.42
PLA2G7 Q13093 1/20 0.40
ATM Q13315 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PLAU P00749 4/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL2616948 0.81 ABL1 (0.59) ABL1BCRRETLCKPLA2G7
Hydrochloric Acid SCHEMBL5548680 0.80 ABL1 (0.58) ABL1BCRRETLCKPLA2G7
SCHEMBL17713569 0.78 RET (0.56) ABL1BCRRETLCKATM
SCHEMBL25394314 0.75 SQOR (0.43) PLA2G7ATMPLAULMNAHTT
SCHEMBL31387690 0.75 SQOR (0.43) PLA2G7ATMPLAULMNAHTT
Pyridine SCHEMBL27895751 0.75 ABL1 (0.60) ABL1BCRRETLCKMEN1
SCHEMBL25392183 0.73 SQOR (0.44) PLA2G7ATMLMNAHTTNOS3
SCHEMBL4733842 0.73 ABL1 (0.67) ABL1BCRRETLCKCCNB2
SCHEMBL31387637 0.72 PLA2G7 (0.39) PLA2G7ATMLMNAHTTNOS3
SCHEMBL25393426 0.72 PLA2G7 (0.39) PLA2G7ATMLMNAHTTNOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638627-B2 Imatinib hydrochloride; reacting N-(2-methyl-5-aminophenyl-4-(3-pyridyl)-2-pyrimidineamine with 4-(4-methyl-piperazinomethyl)benzoyl chloride; improved reduction step to simplify, increase yield, improve purity CIPLA LIMITED (IN) 2009-12-29 US disclosed
US-20060173182-A1 Process of preparing imatinib and imatinib prepared thereby CIPLA LIMITED (IN) 2006-08-03 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 (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-20060173182-A1 Process of preparing imatinib and imatinib prepared thereby ABL1, ABL2, MET ABL1 1/4885BCR 38/4885RET 41/4885

“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.