SCHEMBL9607749

SCHEMBL9607749

[C-]#[N+]c1ccc(Nc2nc(-c3ccccc3)nc(-c3ccc(C)cc3)c2OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.50
MAPT P10636 4/20 0.50
TP53 P04637 2/20 0.50
LMNA P02545 1/20 0.50
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GBA1 P04062 2/20 0.46
ALDH1A1 P00352 3/20 0.44
RXFP1 Q9HBX9 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.42
ABCC1 P33527 3/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40

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
SCHEMBL9607759 0.85 MEN1 (0.52) ABCG2MAPTTP53LMNAMEN1
SCHEMBL6919662 0.83 ABCG2 (0.55) ABCG2MAPTTP53LMNAALDH1A1
SCHEMBL6918476 0.72 DHPS (0.55) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL9607750 0.70 ALOX5 (0.41) MEN1KMT2AGBA1PDE5ANPSR1
SCHEMBL22201364 0.68 ABCG2 (0.94) ABCG2MAPTTP53LMNAMEN1
SCHEMBL8095812 0.68 ABCG2 (1.00) ABCG2MAPTTP53LMNAMEN1
SCHEMBL1231149 0.67 F9 (0.65) ABCG2MAPTTP53LMNAMEN1
SCHEMBL1231102 0.67 ABCG2 (0.57) ABCG2MAPTTP53LMNAMEN1
SCHEMBL9607763 0.67 MEN1 (0.52) ABCG2MAPTTP53LMNAMEN1
SCHEMBL6918055 0.67 F9 (0.63) ABCG2MAPTTP53LMNAMEN1

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 ABCG2 632/4885MAPT 4087/4885TP53 3710/4885

“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.