SCHEMBL9607697

SCHEMBL9607697

[C-]#[N+]c1ccc(Nc2ncnc(-c3ccc(C)cc3)c2O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 10/20 0.66
F11 P03951 4/20 0.66
F7 P08709 4/20 0.66
CYP2C9 P11712 1/20 0.66
F10 P00742 2/20 0.65
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
EGFR P00533 1/20 0.39
MAPT P10636 2/20 0.39
RAF1 P04049 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 2/20 0.38
HAVCR2 Q8TDQ0 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CD38 P28907 1/20 0.37

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
SCHEMBL9607648 0.85 F9 (0.65) F9F11F7CYP2C9F10
SCHEMBL9607647 0.84 F9 (0.59) F9F11F7CYP2C9F10
SCHEMBL6918463 0.84 F9 (0.76) F9F11F7CYP2C9F10
SCHEMBL9607649 0.83 F9 (0.66) F9F11F7CYP2C9F10
SCHEMBL9607660 0.81 F9 (0.56) F9F11F7CYP2C9F10
SCHEMBL9607691 0.81 F9 (0.67) F9F11F7CYP2C9F10
SCHEMBL9607661 0.81 F9 (0.67) F9F11F7CYP2C9F10
SCHEMBL1233112 0.80 F9 (1.00) F9F11F7CYP2C9F10
SCHEMBL1233196 0.80 F9 (0.66) F9F11F7CYP2C9F10
SCHEMBL1232542 0.80 F9 (0.74) F9F11F7CYP2C9F10

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.