SCHEMBL9607763

SCHEMBL9607763

C=C(N)c1ccc(Nc2nc(-c3ccccc3)nc(-c3ccc(C)cc3)c2O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
GBA1 P04062 2/20 0.52
MAPT P10636 4/20 0.51
TP53 P04637 2/20 0.51
ABCG2 Q9UNQ0 2/20 0.51
LMNA P02545 1/20 0.51
F9 P00740 3/20 0.50
F11 P03951 2/20 0.50
F7 P08709 2/20 0.50
F10 P00742 1/20 0.50
KDR P35968 1/20 0.47
PDE4B Q07343 5/20 0.46
PDE4D Q08499 5/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NTSR1 P30989 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL1233111 0.89 F9 (0.65) MEN1KMT2AGBA1MAPTTP53
SCHEMBL1231149 0.89 F9 (0.65) MEN1KMT2AGBA1MAPTTP53
SCHEMBL6918055 0.84 F9 (0.63) MEN1KMT2AGBA1MAPTTP53
SCHEMBL9607759 0.82 MEN1 (0.52) MEN1KMT2AGBA1MAPTTP53
SCHEMBL1231102 0.82 ABCG2 (0.57) MEN1KMT2AGBA1MAPTTP53
SCHEMBL1232151 0.69 F9 (0.62) MEN1KMT2AGBA1MAPTTP53
SCHEMBL6919971 0.69 F9 (0.48) MEN1KMT2AGBA1MAPTTP53
SCHEMBL8095812 0.68 ABCG2 (1.00) MEN1KMT2AGBA1MAPTTP53
SCHEMBL22201364 0.68 ABCG2 (0.94) MEN1KMT2AGBA1MAPTTP53
SCHEMBL9607749 0.67 ABCG2 (0.50) MEN1KMT2AGBA1MAPTTP53

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.