SCHEMBL9607621

SCHEMBL9607621

Cc1ccc(-c2nc(C(C)(C)C)nc(Nc3ccc(CN)cc3)c2O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 8/20 0.64
F11 P03951 3/20 0.64
F7 P08709 3/20 0.64
CYP2C9 P11712 1/20 0.64
F10 P00742 2/20 0.43
NPSR1 Q6W5P4 1/20 0.41
PLG P00747 3/20 0.36
KLK1 P06870 3/20 0.36
TP53 P04637 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
KDR P35968 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GBA1 P04062 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KLK6 Q92876 2/20 0.34
HTT P42858 1/20 0.34
BRAF P15056 1/20 0.34
PDE4B Q07343 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
SCHEMBL6919971 0.90 F9 (0.48) F9F11F7CYP2C9F10
SCHEMBL9607754 0.81 F9 (0.41) F9F11F7CYP2C9F10
SCHEMBL1232626 0.81 F9 (0.48) F9F11F7CYP2C9F10
SCHEMBL6918055 0.81 F9 (0.63) F9F11F7CYP2C9F10
SCHEMBL1232103 0.80 F9 (0.61) F9F11F7CYP2C9F10
SCHEMBL1233112 0.78 F9 (1.00) F9F11F7CYP2C9F10
SCHEMBL1233098 0.77 F9 (0.58) F9F11F7CYP2C9F10
SCHEMBL15291870 0.71 F9 (0.87) F9F11F7CYP2C9F10
SCHEMBL9607613 0.68 F9 (0.81) F9F11F7CYP2C9F10
SCHEMBL13984651 0.67 F9 (0.51) F9F11F7CYP2C9PLG

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 2 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

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.