SCHEMBL9607748

SCHEMBL9607748

[C-]#[N+]c1ccc(Nc2nc(C(C)(C)C)nc(-c3ccc(C)cc3)c2OCc2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GBA1 P04062 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
F9 P00740 1/20 0.33
F11 P03951 1/20 0.33
F7 P08709 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPT P10636 4/20 0.33
EGFR P00533 2/20 0.32
ERBB2 P04626 2/20 0.32
THRB P10828 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CHEK2 O96017 1/20 0.32
ROS1 P08922 1/20 0.32
FLT3 P36888 1/20 0.32
ERBB4 Q15303 1/20 0.32
AURKB Q96GD4 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32

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
SCHEMBL9607750 0.81 ALOX5 (0.41) MEN1KMT2AGBA1NPSR1F9
SCHEMBL9607754 0.78 F9 (0.41) MEN1KMT2AGBA1NPSR1F9
SCHEMBL9607733 0.76 CNR2 (0.43) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL9607749 0.74 ABCG2 (0.50) MEN1KMT2AGBA1NPSR1MAPT
SCHEMBL9607695 0.71 F9 (0.41) MEN1KMT2ANPSR1F9F11
SCHEMBL6919146 0.69 KDM4E (0.44) MEN1KMT2AF9MAPTTHRB
SCHEMBL9607659 0.69 EGFR (0.45) MEN1KMT2AF9F11F7
SCHEMBL9607690 0.68 F9 (0.46) MEN1KMT2AF9F11F7
SCHEMBL6919971 0.67 F9 (0.48) MEN1KMT2AGBA1NPSR1F9
SCHEMBL9607759 0.66 MEN1 (0.52) MEN1KMT2AGBA1NPSR1F9

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 MEN1 3347/4885KMT2A 2705/4885GBA1 541/4885

“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.