SCHEMBL5358650

SCHEMBL5358650

COc1cccc(Cc2ccc3nc(N)nc(N)c3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.58
APP P05067 1/20 0.55
SLC2A1 P11166 1/20 0.55
LTA4H P09960 1/20 0.51
LTB4R Q15722 1/20 0.50
TLR8 Q9NR97 1/20 0.50
TLR7 Q9NYK1 1/20 0.50

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
SCHEMBL5359933 0.89 DHFR (0.65) DHFR
SCHEMBL5359927 0.88 ALDH1A1 (0.61) DHFR
SCHEMBL5355383 0.83 DHFR (0.60) DHFR
SCHEMBL28119906 0.82 MAP4K4 (0.66) DHFRLTA4H
SCHEMBL5356890 0.81 DHFR (0.70) DHFRAPPSLC2A1
SCHEMBL5358700 0.81 DHFR (0.67) DHFR
SCHEMBL5348919 0.79 KDM4E (0.58) DHFR
SCHEMBL5355655 0.79 DHFR (0.67) DHFRSLC2A1
SCHEMBL5363232 0.78 DHFR (0.56) DHFR
SCHEMBL29415515 0.75 LTA4H (0.49) DHFRLTA4HLTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256197-B2 Methods for synthesis of diarylmethanes DANA-FARBER CANCER INSTITUTE (US) 2007-08-14 US disclosed
US-20040267011-A1 Methods for synthesis of diarylmethanes DANA-FARBER CANCER INSTITUTE 2004-12-30 US disclosed
WO-2003031458-A1 METHODS FOR SYNTHESIS OF DIARYLMETHANES DANA-FARBER CANCER INSTITUTE (US) 2003-04-17 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-20040267011-A1 Methods for synthesis of diarylmethanes DHFR, DPYD, DHODH DHFR 1/4885APP 4586/4885SLC2A1 2517/4885

“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.