SCHEMBL2261493

SCHEMBL2261493

N#Cc1ccc(CCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYMS P04818 10/20 0.55
DHFR P00374 1/20 0.54
FOLR2 P14207 1/20 0.54
FOLR1 P15328 1/20 0.54
GART P22102 1/20 0.54
ATIC P31939 1/20 0.54
SHMT1 P34896 1/20 0.54
SLC19A1 P41440 1/20 0.54
FRK P42685 1/20 0.54
SLC46A1 Q96NT5 1/20 0.54
DAO P14920 1/20 0.48

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
SCHEMBL12238856 0.84 TYMS (0.57) TYMSDHFRFOLR2FOLR1GART
SCHEMBL22967337 0.84 TYMS (0.59) TYMSDHFRFOLR2FOLR1GART
SCHEMBL18755599 0.82 TYMS (0.55) TYMSDHFRFOLR2FOLR1GART
SCHEMBL24845716 0.81 PNP (0.57) TYMSDHFRFOLR2FOLR1GART
SCHEMBL18551642 0.81 TYMS (0.64) TYMSDHFRFOLR2FOLR1GART
SCHEMBL24845712 0.81 TYMS (0.56) TYMSDHFRFOLR2FOLR1GART
SCHEMBL2260428 0.81 TYMS (0.69) TYMSDHFRFOLR2FOLR1GART
SCHEMBL13659935 0.80 TYMS (0.63) TYMSDHFRFOLR2FOLR1GART
SCHEMBL2260030 0.80 TYMS (0.67) TYMSDHFRFOLR2FOLR1GART
SCHEMBL2260032 0.79 TYMS (0.68) TYMSDHFRFOLR2FOLR1GART

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957497-B1 PROCESSES FOR PREPARING INTERMEDIATES OF PEMETREXED SICOR INC (US) 2015-09-30 EP disclosed
EP-1957497-B1 PROCESSES FOR PREPARING INTERMEDIATES OF PEMETREXED SICOR INC (US) 2015-09-30 EP disclosed
US-8362245-B2 Processes for preparing intermediates of pemetrexed SICOR INC. (US) 2013-01-29 US disclosed
US-8362245-B2 Processes for preparing intermediates of pemetrexed SICOR INC. (US) 2013-01-29 US disclosed
US-20110263851-A1 PROCESSES FOR PREPARING INTERMEDIATES OF PEMETREXED SICOR INC. (US) 2011-10-27 US disclosed
US-20110263851-A1 PROCESSES FOR PREPARING INTERMEDIATES OF PEMETREXED SICOR INC. (US) 2011-10-27 US disclosed
US-7994180-B2 prepared, preferably in high purity, via a straight-forward process without the need for the purification of intermediates SICOR INC. (US) 2011-08-09 US disclosed
US-7994180-B2 prepared, preferably in high purity, via a straight-forward process without the need for the purification of intermediates SICOR INC. (US) 2011-08-09 US disclosed
US-7994180-B2 prepared, preferably in high purity, via a straight-forward process without the need for the purification of intermediates SICOR INC. (US) 2011-08-09 US disclosed
EP-1957497-A2 PROCESSES FOR PREPARING INTERMEDIATES OF PEMETREXED Sicor, Inc. (US) 2008-08-20 EP disclosed
US-20080146799-A1 prepared, preferably in high purity, via a straight-forward process without the need for the purification of intermediates ASSIA CHEMICAL INDUSTRIES LTD. (IL) 2008-06-19 US disclosed
US-20080146799-A1 prepared, preferably in high purity, via a straight-forward process without the need for the purification of intermediates ASSIA CHEMICAL INDUSTRIES LTD. (IL) 2008-06-19 US disclosed
US-20080146799-A1 prepared, preferably in high purity, via a straight-forward process without the need for the purification of intermediates ASSIA CHEMICAL INDUSTRIES LTD. (IL) 2008-06-19 US disclosed
WO-2008021385-A2 PROCESSES FOR PREPARING INTERMEDIATES OF PEMETREXED SICOR INC. (US) 2008-02-21 WO disclosed
WO-2008021385-A2 PROCESSES FOR PREPARING INTERMEDIATES OF PEMETREXED SICOR INC. (US) 2008-02-21 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-20110263851-A1 PROCESSES FOR PREPARING INTERMEDIATES OF PEMETREXED DPYD, TYMP, TYMS TYMS 3/4885DHFR 5/4885FOLR2 86/4885
US-20080146799-A1 prepared, preferably in high purity, via a straight-forward process without the need for the purification of intermediates TYMP, TYMS, DHFR TYMS 2/4885DHFR 3/4885FOLR2 30/4885

“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.