SCHEMBL9607626

SCHEMBL9607626

CC(F)(F)Oc1ccc(-c2ncnc(Nc3ccc(CN)cc3)c2O)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F9 P00740 8/20 0.69
F11 P03951 3/20 0.69
F7 P08709 3/20 0.69
CYP2C9 P11712 1/20 0.69
F10 P00742 2/20 0.47
TTBK1 Q5TCY1 1/20 0.40
TTBK2 Q6IQ55 1/20 0.40
ABL1 P00519 11/20 0.39
BCR P11274 11/20 0.39

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
SCHEMBL6919134 0.91 F9 (0.68) F9F11F7CYP2C9F10
SCHEMBL15291874 0.89 F9 (0.65) F9F11F7CYP2C9F10
SCHEMBL9607625 0.89 F9 (0.59) F9F11F7CYP2C9F10
SCHEMBL15291870 0.85 F9 (0.87) F9F11F7CYP2C9F10
SCHEMBL1233112 0.82 F9 (1.00) F9F11F7CYP2C9F10
SCHEMBL9607613 0.82 F9 (0.81) F9F11F7CYP2C9F10
SCHEMBL3401495 0.81 F9 (0.56) F9F11F7CYP2C9TTBK1
SCHEMBL6919891 0.80 F9 (0.58) F9F11F7CYP2C9F10
SCHEMBL6918977 0.79 F9 (0.77) F9F11F7CYP2C9F10
SCHEMBL9607662 0.79 F9 (0.62) 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.