SCHEMBL13495975

SCHEMBL13495975

Nc1nc(Cl)c2c(n1)CNC2

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.32
▸ CHUK O15111 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL2683969 0.78 ALDH1A1 (0.30) —
Hydrochloric Acid SCHEMBL4328115 0.77 — —
SCHEMBL1934694 0.75 CDK2 (0.32) KDM4E
SCHEMBL13494563 0.75 KDM4E (0.52) KDM4E
SCHEMBL28654615 0.75 HTR2A (0.35) —
Hydrochloric Acid SCHEMBL30321390 0.73 HTR2A (0.34) —
Trifluoroacetic Acid SCHEMBL30321315 0.69 UHRF1 (0.31) —
SCHEMBL19358098 0.68 HRH4 (0.41) CHUK
SCHEMBL20042777 0.68 HRH4 (0.38) CHUK
SCHEMBL2922186 0.68 KDM4E (0.53) KDM4E

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-8080556-B2 2-amino pyrimidine compounds as potent HSP-90 inhibitors PFIZER INC. (US) 2011-12-20 — — US disclosed
US-20100041681-A1 2-AMINO PYRIMIDINE COMPOUNDS AS POTENT HSP-90 INHIBITORS PFIZER INC 2010-02-18 — — 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-20100041681-A1 2-AMINO PYRIMIDINE COMPOUNDS AS POTENT HSP-90 INHIBITORS HSP90AB2P, HSP90AB1, HSP90AA1 DPP4 3658/4885CHUK 177/4885KDM4E 3443/4885

“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.

Send feedback