SCHEMBL20734741

SCHEMBL20734741

Nc1ncc(C2CCN(c3cnc(C(F)(F)F)nc3)CC2)c(N)n1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 12/20 0.50
LCAT P04180 4/20 0.40

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
SCHEMBL20734745 0.84 DHFR (0.67) DHFRLCAT
SCHEMBL20734742 0.79 DHFR (0.70) DHFR
SCHEMBL10690764 0.76 DHFR (0.63) DHFR
SCHEMBL30714999 0.73 DHFR (0.41) DHFR
SCHEMBL2444528 0.73 DHFR (0.41) DHFR
SCHEMBL10691450 0.73 DHFR (0.65) DHFR
SCHEMBL10686944 0.73 DHFR (0.45) DHFR
SCHEMBL10689416 0.73 DHFR (0.52) DHFR
SCHEMBL16648478 0.73 LCAT (0.46) DHFRLCAT
SCHEMBL4004688 0.73 HRH4 (0.45) 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-20200270233-A1 DHFR INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC 2020-08-27 US disclosed
WO-2019032458-A1 DHFR INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC (US) 2019-02-14 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 (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-20200270233-A1 DHFR INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO DHFR, DHODH, FPGS DHFR 1/4885LCAT 390/4885

“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.