SCHEMBL12238856

SCHEMBL12238856

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

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 7/20 0.57
▸ FOLR1 P15328 2/20 0.57
▸ SLC19A1 P41440 2/20 0.57
▸ SLC46A1 Q96NT5 2/20 0.57
▸ DHFR P00374 1/20 0.57
▸ FOLR2 P14207 1/20 0.57
▸ GART P22102 1/20 0.57
▸ ATIC P31939 1/20 0.57
▸ SHMT1 P34896 1/20 0.57
▸ FRK P42685 1/20 0.57

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
SCHEMBL22967337 0.87 TYMS (0.59) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL24845716 0.86 PNP (0.57) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL24845712 0.86 TYMS (0.56) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL13659935 0.85 TYMS (0.63) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL18755599 0.85 TYMS (0.55) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL2260428 0.84 TYMS (0.69) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL18551642 0.84 TYMS (0.64) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL2261493 0.84 TYMS (0.55) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL25476851 0.83 TYMS (0.64) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL13524779 0.83 TYMS (0.67) TYMSFOLR1SLC19A1SLC46A1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021026310-A1 PROCESSES OF PREPARING POLYGLUTAMATED ANTIFOLATES AND USES OF THEIR COMPOSITIONS L.E.A.F. HOLDINGS GROUP LLC (US) 2021-02-11 — — WO disclosed
EP-3035938-B1 TARGETED THERAPEUTICS MADRIGAL PHARMACEUTICALS INC (US) 2020-08-19 — — EP 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-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-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

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 3/4885FOLR1 48/4885SLC19A1 171/4885
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 2/4885FOLR1 33/4885SLC19A1 63/4885

“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.

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