SCHEMBL2694585

SCHEMBL2694585

Cc1ccc(N)cc1N=C(N)N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 4/20 0.48
SIGMAR1 Q99720 4/20 0.45
CYP3A4 P08684 2/20 0.43
PDE10A Q9Y233 1/20 0.43
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
RAD52 P43351 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HTR3E A5X5Y0 2/20 0.39
HTR3B O95264 2/20 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
SCHEMBL12516764 0.81 HTR3E (0.50) ALDH1A1MAPTPOLBRAD52HTR3E
SCHEMBL28410275 0.78 ALDH1A1 (0.56) CASP1TSHRALDH1A1SIGMAR1CYP3A4
SCHEMBL24423487 0.78 ALDH1A1 (0.56) CASP1TSHRALDH1A1SIGMAR1CYP3A4
SCHEMBL10228517 0.74 ALDH1A1 (0.52) CASP1TSHRALDH1A1SIGMAR1CYP3A4
SCHEMBL26405492 0.74 ALDH1A1 (0.52) CASP1TSHRALDH1A1SIGMAR1CYP3A4
SCHEMBL12945123 0.73 CYP3A4 (0.63) CASP1TSHRALDH1A1SIGMAR1CYP3A4
SCHEMBL20707685 0.73 CASP1 (0.41) CASP1TSHRALDH1A1SIGMAR1CYP3A4
SCHEMBL23719168 0.72 CASP1 (0.38) CASP1TSHRALDH1A1SIGMAR1CYP3A4
SCHEMBL30084867 0.71 SIGMAR1 (0.58) TSHRSIGMAR1CYP3A4GRIN2DGRIN3B
SCHEMBL1931049 0.71 SIGMAR1 (0.58) TSHRSIGMAR1CYP3A4GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074095-B1 PROCESS FOR THE PREPARATION OF IMATINIB AND INTERMEDIATES THEREOF ITALIANA SINT SPA (IT) 2014-07-02 EP claimed
CN-101528700-B Process for preparing imatinib and intermediates thereof ITALIANA SINT SPA 2012-05-30 CN claimed
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 claimed
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 claimed
CN-101528700-A Process for preparing imatinib and intermediates thereof ITALIANA SINT SPA (IT) 2009-09-09 CN claimed
EP-2074095-A2 PROCESS FOR THE PREPARATION OF IMATINIB AND INTERMEDIATES THEREOF F.I.S. Fabbrica Italiana Sintetici S.p.A. (IT) 2009-07-01 EP claimed
WO-2008059551-A2 PROCESS FOR THE PREPARATION OF IMATINIB AND INTERMEDIATES THEREOF F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2008-05-22 WO claimed
CN-107089969-B Method for synthesizing imatinib intermediate 黑龙江鑫创生物科技开发有限公司 2020-04-24 CN disclosed
CN-104910101-A Synthesis process of imatinib intermediate 4-(4-methylpiperazin-1-ylmethyl) benzoic acid hydrochloride WUHAN LIBAORUI MEDICINE SCIENCE & TECHNOLOGY CO LTD 2015-09-16 CN disclosed
EP-2074095-B1 PROCESS FOR THE PREPARATION OF IMATINIB AND INTERMEDIATES THEREOF ITALIANA SINT SPA (IT) 2014-07-02 EP disclosed
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
CN-101528700-B Process for preparing imatinib and intermediates thereof ITALIANA SINT SPA 2012-05-30 CN 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
CN-101528700-A Process for preparing imatinib and intermediates thereof ITALIANA SINT SPA (IT) 2009-09-09 CN disclosed
EP-2074095-A2 PROCESS FOR THE PREPARATION OF IMATINIB AND INTERMEDIATES THEREOF F.I.S. Fabbrica Italiana Sintetici S.p.A. (IT) 2009-07-01 EP disclosed
WO-2008059551-A2 PROCESS FOR THE PREPARATION OF IMATINIB AND INTERMEDIATES THEREOF F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2008-05-22 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 (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 CASP1 2969/4885TSHR 3719/4885ALDH1A1 571/4885
US-20100234598-A1 PROCESS FOR THE PREPARATION OF IMATINIB AND INTERMEDIATES THEREOF ABL1, PDGFRA, ABL2 CASP1 2969/4885TSHR 3719/4885ALDH1A1 571/4885

“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.