SCHEMBL8855175

SCHEMBL8855175

COC(=O)CCC(NC(=O)c1ccc(CCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1)C(=O)OC

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 12/20 0.73
▸ FOLR1 P15328 5/20 0.73
▸ SLC19A1 P41440 5/20 0.73
▸ SLC46A1 Q96NT5 5/20 0.73
▸ DHFR P00374 4/20 0.73
▸ GART P22102 2/20 0.73
▸ FOLR2 P14207 1/20 0.73
▸ ATIC P31939 1/20 0.73
▸ SHMT1 P34896 1/20 0.73
▸ FRK P42685 1/20 0.73

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
SCHEMBL8855178 1.00 TYMS (0.73) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL15078816 0.97 TYMS (0.69) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL15078869 0.97 TYMS (0.69) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL15078861 0.93 GART (0.84) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL15078817 0.93 GART (0.84) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL7844327 0.91 TYMS (0.72) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL7844331 0.91 TYMS (0.72) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL15078818 0.91 TYMS (0.72) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL13448780 0.89 TYMS (0.67) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL19623246 0.88 TYMS (0.56) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150259348-A1 PROCESS FOR PREPARING PEMETREXED DI POTASSIUM AND ITS HYDRATES SHILPA MEDICARE LIMITED (IN) 2015-09-17 — — US disclosed
US-20130165654-A1 PROCESSES FOR PREPARING PEMETREXED DR. REDDY'S LABORATORIES, INC. (US) 2013-06-27 — — US disclosed
US-20110201631-A1 PHARMACEUTICAL FORMULATIONS COMPRISING PEMETREXED DR. REDDY'S LABORATORIES LTD. (IN) 2011-08-18 — — US disclosed
CN-1038415-C Process for preparing 5-substituted pyrrolo-{2,3-D} pyrimidines LILLY CO ELI (US) 1998-05-20 — — CN disclosed
US-5663339-A Process for preparing 5-substituted pyrrolo-[2,3-D] pyrimidines ELI LILLY AND COMPANY (US) 1997-09-02 — — US disclosed
US-5644058-A Process for preparing 5-substituted pyrrolo-[2,3-d]pyrimidines ELI LILLY AND COMPANY (US) 1997-07-01 — — US disclosed
US-5612482-A Process for preparing 5-substituted pyrrolo-[2,3-d]pyrimidines ELI LILLY AND COMPANY (US) 1997-03-18 — — US disclosed
US-5416211-A Process for preparing 5-substituted pyrrolo-[2,3-d]pyrimidines ELI LILLY AND COMPANY (US) 1995-05-16 — — US disclosed
CN-1087910-A The preparation method of pyrrolo-[2, the 3-d] pyrimidine that 5-replaces LILLY CO ELI (US) 1994-06-15 — — CN disclosed
EP-0589720-A2 Process for preparing 5-substituted pyrrolo-[2,3-d]pyrimidines ELI LILLY AND COMPANY (US) 1994-03-30 — — EP 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 (3 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-20110201631-A1 PHARMACEUTICAL FORMULATIONS COMPRISING PEMETREXED TYMP, TYMS, MTHFD1 TYMS 2/4885FOLR1 18/4885SLC19A1 37/4885
US-20150259348-A1 PROCESS FOR PREPARING PEMETREXED DI POTASSIUM AND ITS HYDRATES DPYD, KCNK5, KCNJ11 TYMS 4/4885FOLR1 235/4885SLC19A1 225/4885
US-20130165654-A1 PROCESSES FOR PREPARING PEMETREXED TYMP, TYMS, DPYD TYMS 2/4885FOLR1 62/4885SLC19A1 117/4885

“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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