SCHEMBL9607660

SCHEMBL9607660

[C-]#[N+]c1ccc(Nc2ncnc(-c3ccc(C)cc3)c2O)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 10/20 0.56
F11 P03951 4/20 0.56
F7 P08709 4/20 0.56
CYP2C9 P11712 1/20 0.56
F10 P00742 2/20 0.55
FGFR1 P11362 1/20 0.36
AURKA O14965 1/20 0.36
RPS6KA3 P51812 3/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
PIP4K2A P48426 1/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
RIPK2 O43353 1/20 0.34
EGFR P00533 1/20 0.34
RET P07949 1/20 0.34
KIF5B P33176 1/20 0.34
KDR P35968 1/20 0.34
NOD1 Q9Y239 1/20 0.34

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 0.81 F9 (0.66) F9F11F7CYP2C9F10
SCHEMBL1232528 0.80 F9 (0.66) F9F11F7CYP2C9F10
SCHEMBL1231123 0.80 F9 (0.68) F9F11F7CYP2C9F10
SCHEMBL9607648 0.80 F9 (0.65) F9F11F7CYP2C9F10
SCHEMBL1231099 0.79 F9 (0.69) F9F11F7CYP2C9F10
SCHEMBL9607659 0.79 EGFR (0.45) F9F11F7CYP2C9F10
SCHEMBL9607647 0.78 F9 (0.59) F9F11F7CYP2C9F10
SCHEMBL6920341 0.78 F9 (0.68) F9F11F7CYP2C9F10
SCHEMBL9607666 0.78 F9 (0.66) F9F11F7CYP2C9F10
SCHEMBL6918463 0.76 F9 (0.76) 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.