SCHEMBL3962268

SCHEMBL3962268

Nc1ncc(Cc2cccnc2)c(N)n1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.60

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
SCHEMBL266745 0.84 MPO (0.45) DHFR
SCHEMBL380792 0.83 DHFR (0.67) DHFR
Water SCHEMBL28837029 0.81 DHFR (0.65) DHFR
Hydrochloric Acid SCHEMBL8377343 0.81 DHFR (0.65) DHFR
SCHEMBL21591751 0.78 CHRNA7 (0.47)
SCHEMBL9694096 0.75 MPO (0.48)
SCHEMBL1774870 0.75 DHFR (0.69) DHFR
SCHEMBL6557271 0.75 DHFR (0.59) DHFR
SCHEMBL7714720 0.75 HRH4 (0.52)
SCHEMBL27820723 0.74 MMP2 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104203939-A Diaminopyrimidines as human Respiratory Syncytial Virus (RSV) inhibitors ABBVIE INC 2014-12-10 CN claimed
CN-105593215-B 2, 4-or 4, 6-diaminopyrimidine compounds as IDH2 mutant inhibitors for the treatment of cancer 安吉奥斯医药品有限公司 2019-01-15 CN disclosed
CN-104203939-A Diaminopyrimidines as human Respiratory Syncytial Virus (RSV) inhibitors ABBVIE INC 2014-12-10 CN disclosed
CN-104024248-A SERINE/THREONINE PAK1 INHIBITORS HOFFMANN LA ROCHE 2014-09-03 CN disclosed
US-7550473-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-09 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-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCQ, PRKCZ, PRKCH DHFR 640/4885

“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.