SCHEMBL1613564

SCHEMBL1613564

COCCN(C)c1ccc(I)cc1-c1cnc(N)nc1N

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.38
HRH4 Q9H3N8 2/20 0.35
CYP3A4 P08684 1/20 0.35
DPP4 P27487 1/20 0.35

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
SCHEMBL1612105 0.74 BCL6 (0.39) HRH4CYP3A4DPP4
SCHEMBL4433919 0.74 SLC6A4 (0.38) HRH4CYP3A4DPP4
SCHEMBL1613741 0.73 DHFR (0.55) DHFR
SCHEMBL1612609 0.71 DHFR (0.51) DHFR
SCHEMBL1612797 0.69 DHFR (0.45) DHFR
SCHEMBL1611476 0.64 HCAR3 (0.47)
SCHEMBL1936800 0.63 DHFR (0.57) DHFR
SCHEMBL29671282 0.63 KMT2A (0.52) DHFR
SCHEMBL28762135 0.63 KMT2A (0.52) DHFR
SCHEMBL29084042 0.61 ATR (0.46) 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
EP-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 EP disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 DHFR 2398/4885HRH4 1210/4885CYP3A4 2161/4885

“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.