SCHEMBL9607765

SCHEMBL9607765

[C-]#[N+]c1ncnc(-c2ccc(C)cc2)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 11/20 0.44
F11 P03951 5/20 0.44
F7 P08709 4/20 0.44
CYP2C9 P11712 1/20 0.44
F10 P00742 3/20 0.43
RPS6KA3 P51812 3/20 0.34
MAPK1 P28482 1/20 0.33
MAP2K4 P45985 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
MAPKAPK3 Q16644 1/20 0.33
MAPK6 Q16659 1/20 0.33
MAPKAPK5 Q8IW41 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLK4 O00444 1/20 0.32
RIPK2 O43353 1/20 0.32

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
SCHEMBL9607697 0.73 F9 (0.66) F9F11F7CYP2C9F10
SCHEMBL9607647 0.70 F9 (0.59) F9F11F7CYP2C9F10
SCHEMBL1232167 0.70 KMO (0.61) F9F11F7CYP2C9F10
SCHEMBL1232159 0.70 ERBB2 (0.54) F9F11F7CYP2C9F10
SCHEMBL9607648 0.70 F9 (0.65) F9F11F7CYP2C9F10
SCHEMBL6918463 0.65 F9 (0.76) F9F11F7CYP2C9F10
SCHEMBL6918147 0.65 F9 (0.46) F9F11F7CYP2C9F10
SCHEMBL4058284 0.62 MEN1 (0.41) F9F11F7CYP2C9F10
SCHEMBL5646419 0.62 L3MBTL1 (0.46) F9F11F7CYP2C9F10
SCHEMBL11227322 0.61 KMT2A (0.42) CYP2C9RPS6KA3MAPK1MAP2K4MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2012-05-31 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-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS F9, F8, F12 F9 1/4885F11 5/4885F7 7/4885

“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.