SCHEMBL6920180

SCHEMBL6920180

N#Cc1ccc(Nc2ncnc(-c3ccc(Cl)cc3)c2O)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 9/20 0.52
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
F11 P03951 4/20 0.42
F7 P08709 4/20 0.42
CYP2C9 P11712 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
F10 P00742 2/20 0.42
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
RAF1 P04049 2/20 0.40
BRAF P15056 2/20 0.40
EGLN2 Q96KS0 1/20 0.39
TP53 P04637 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 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
SCHEMBL1232528 0.89 F9 (0.66) F9POLBMAPTSMN1; SMN2F11
SCHEMBL9607666 0.82 F9 (0.66) F9POLBMAPTSMN1; SMN2F11
SCHEMBL9607677 0.80 F9 (0.66) F9POLBMAPTSMN1; SMN2F11
SCHEMBL6920170 0.78 F9 (0.66) F9POLBMAPTSMN1; SMN2F11
SCHEMBL6918977 0.72 F9 (0.77) F9POLBMAPTSMN1; SMN2F11
SCHEMBL1232807 0.70 F9 (0.53) F9POLBMAPTSMN1; SMN2F11
SCHEMBL1233103 0.70 F9 (0.53) F9F11F7CYP2C9F10
SCHEMBL6918447 0.70 F9 (0.44) F9MAPTF11F7CYP2C9
SCHEMBL1232542 0.69 F9 (0.74) F9F11F7CYP2C9F10
SCHEMBL1232597 0.69 F9 (0.45) F9F11F7CYP2C9CNR1

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 3 patents. 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
US-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2012-05-31 US disclosed
WO-2011017296-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2011-02-10 WO 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 1/4885POLB 2106/4885MAPT 4087/4885

“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.