SCHEMBL14453489

SCHEMBL14453489

CCCc1c[nH]c2nc(N)[nH]c(=O)c12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMS P04818 5/20 0.47
FOLR1 P15328 4/20 0.47
SLC19A1 P41440 4/20 0.47
SLC46A1 Q96NT5 4/20 0.47
GART P22102 2/20 0.47
DHFR P00374 1/20 0.47
FOLR2 P14207 1/20 0.47
ATIC P31939 1/20 0.47
SHMT1 P34896 1/20 0.47
FRK P42685 1/20 0.47

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
SCHEMBL21161374 0.89 TYMS (0.49) TYMSDHFR
SCHEMBL19929245 0.83 PNP (0.48) TYMS
SCHEMBL166747 0.83 TYMS (0.49) TYMSDHFR
Hydrochloric Acid SCHEMBL29602465 0.81 TYMS (0.48) TYMSDHFR
SCHEMBL17662614 0.81 PNP (0.46) TYMS
SCHEMBL12238856 0.81 TYMS (0.57) TYMSFOLR1SLC19A1SLC46A1GART
SCHEMBL22967337 0.80 TYMS (0.59) TYMSFOLR1SLC19A1SLC46A1GART
Hydrochloric Acid SCHEMBL19328559 0.80 PNP (0.46) TYMS
Hydrochloric Acid SCHEMBL19253833 0.80 PNP (0.46) TYMS
SCHEMBL17652055 0.79 PNP (0.45) TYMSFOLR1SLC19A1SLC46A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-26 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 (1 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-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 TYMS 502/4885FOLR1 3731/4885SLC19A1 2845/4885

“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.