SCHEMBL3672857

SCHEMBL3672857

Cc1ccc2nc(N)[nH]c(=O)c2c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYMS P04818 14/20 0.72
QTRT1 Q9BXR0 1/20 0.59
TUBB4A P04350 1/20 0.55
TUBB P07437 1/20 0.55
TUBA3C P0DPH7 1/20 0.55
TUBA1B P68363 1/20 0.55
TUBA4A P68366 1/20 0.55
TUBB4B P68371 1/20 0.55
TUBB3 Q13509 1/20 0.55
TUBB2A Q13885 1/20 0.55
TUBB8 Q3ZCM7 1/20 0.55
TUBA3E Q6PEY2 1/20 0.55
TUBA1A Q71U36 1/20 0.55
TUBA1C Q9BQE3 1/20 0.55
TUBB6 Q9BUF5 1/20 0.55
TUBB2B Q9BVA1 1/20 0.55
TUBB1 Q9H4B7 1/20 0.55
PARP1 P09874 1/20 0.51
CYP1A2 P05177 1/20 0.49

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
SCHEMBL29850802 1.00 TYMS (0.72) TYMSQTRT1TUBB4ATUBBTUBA3C
SCHEMBL13102494 0.86 TYMS (0.63) TYMSQTRT1PARP1CYP1A2
SCHEMBL18735812 0.84 TYMS (0.61) TYMSQTRT1CYP1A2
SCHEMBL6653074 0.84 TYMS (1.00) TYMS
SCHEMBL4311562 0.82 TYMS (0.71) TYMSQTRT1PARP1
SCHEMBL30249625 0.82 TYMS (0.71) TYMSQTRT1PARP1
SCHEMBL7263029 0.82 KDM4E (0.66) TYMSTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29535139 0.82 KDM4E (0.66) TYMSTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4725175 0.79 TUBB4A (0.55) TYMSTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14239552 0.79 TUBB4A (0.55) TYMSTUBB4ATUBBTUBA3CTUBA1B

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113880806-B 2-amino-4-oxo-quinazoline dithiocarbamate derivative, and pharmaceutical composition and application thereof 深圳大学 2022-09-13 CN disclosed
US-11219622-B2 Folate receptor binding conjugates of antifolates ENDOCYTE, INC. (US) 2022-01-11 US disclosed
CN-113880806-A 2-amino-4-oxo-quinazoline dithio formate derivative, and pharmaceutical composition and application thereof 深圳大学 2022-01-04 CN disclosed
US-20200147072-A1 Folate Receptor Binding Conjugates of Antifolates PURDUE RESEARCH FOUNDATION (US) 2020-05-14 US disclosed
US-10363250-B2 Folate receptor binding conjugates of antifolates ENDOCYTE, INC. (US) 2019-07-30 US disclosed
US-20170246314-A1 Folate Receptor Binding Conjugates of Antifolates PURDUE RESEARCH FOUNDATION (US) 2017-08-31 US disclosed
US-20170246314-A1 Folate Receptor Binding Conjugates of Antifolates PURDUE RESEARCH FOUNDATION (US) 2017-08-31 US disclosed
US-9549992-B2 Folate receptor binding conjugates of antifolates PURDUE RESEARCH FOUNDATION (US) 2017-01-24 US disclosed
US-9549992-B2 Folate receptor binding conjugates of antifolates PURDUE RESEARCH FOUNDATION (US) 2017-01-24 US disclosed
US-20160263237-A1 Folate Receptor Binding Conjugates of Antifolates PURDUE RESEARCH FOUNDATION (US) 2016-09-15 US disclosed
US-8546425-B2 Folate receptor binding conjugates of antifolates PURDUE RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-8546425-B2 Folate receptor binding conjugates of antifolates PURDUE RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-20110172254-A1 FOLATE RECEPTOR BINDING CONJUGATES OF ANTIFOLATES ENDOCYTE, INC. (US) 2011-07-14 US disclosed
US-20110172254-A1 FOLATE RECEPTOR BINDING CONJUGATES OF ANTIFOLATES ENDOCYTE, INC. (US) 2011-07-14 US disclosed
WO-2010033733-A1 FOLATE RECEPTOR BINDING CONJUGATES OF ANTIFOLATES ENDOCYTE, INC. (US) 2010-03-25 WO disclosed
EP-2139461-A2 AMINO DERIVATIVES TO PREVENT NEPHROTOXICITY AND CANCER Recepticon Aps (DK) 2010-01-06 EP disclosed
WO-2008113364-A2 AMINO DERIVATIVES TO PREVENT NEPHROTOXICITY AND CANCER RECEPTICON APS (DK) 2008-09-25 WO disclosed
WO-2008109181-A2 METALLOPROTEASE INHIBITORS CONTAINING A HETEROCYCLIC MOIETY ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-09-12 WO disclosed
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 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 (7 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-20200147072-A1 Folate Receptor Binding Conjugates of Antifolates FOLR1, FOLR2, DHFR TYMS 29/4885QTRT1 577/4885TUBB4A 1768/4885
US-20160263237-A1 Folate Receptor Binding Conjugates of Antifolates FOLR1, FOLR2, DHFR TYMS 29/4885QTRT1 577/4885TUBB4A 1768/4885
US-11219622-B2 Folate receptor binding conjugates of antifolates FOLR1, FOLR2, DHFR TYMS 29/4885QTRT1 577/4885TUBB4A 1768/4885
US-10363250-B2 Folate receptor binding conjugates of antifolates FOLR1, FOLR2, DHFR TYMS 105/4885QTRT1 636/4885TUBB4A 1474/4885
US-20170246314-A1 Folate Receptor Binding Conjugates of Antifolates FOLR1, FOLR2, DHFR TYMS 105/4885QTRT1 636/4885TUBB4A 1474/4885
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP13, MMP11, MMP3 TYMS 2149/4885QTRT1 1129/4885TUBB4A 4427/4885
US-20110172254-A1 FOLATE RECEPTOR BINDING CONJUGATES OF ANTIFOLATES FOLR1, FOLR2, DHFR TYMS 29/4885QTRT1 577/4885TUBB4A 1768/4885

“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.