SCHEMBL4527596

SCHEMBL4527596

CN(c1ccccc1)c1nc(N)nc2ccc(Cl)nc12

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHFR P00374 10/20 0.55
EGFR P00533 1/20 0.41
CSF1R P07333 1/20 0.41

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
Hydrochloric Acid SCHEMBL3114665 0.74 PDE5A (0.65) DHFREGFR
Hydrochloric Acid SCHEMBL9776940 0.74 PDE5A (0.65) DHFREGFR
SCHEMBL4355628 0.73 CSF1R (0.52) DHFREGFRCSF1R
SCHEMBL4354360 0.71 EGFR (0.51) DHFREGFRCSF1R
SCHEMBL4100786 0.71 ADORA2A (0.54) DHFR
SCHEMBL4100981 0.70 DHFR (0.51) DHFR
SCHEMBL795537 0.69 ALDH1A1 (0.50) DHFR
SCHEMBL14869412 0.69 DHFR (0.54) DHFR
SCHEMBL29439675 0.69 DHFR (0.53) DHFR
SCHEMBL3922711 0.69 DHFR (0.53) DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO DHFR 13/4885EGFR 3525/4885CSF1R 4485/4885

“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.