SCHEMBL17754111

SCHEMBL17754111

CCc1cc2c(N3CCN(C(=O)Cc4ccccc4O)CC3)ncnc2s1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.77
MEN1 O00255 11/20 0.69
KMT2A Q03164 6/20 0.62
ALDH1A1 P00352 2/20 0.62
HTT P42858 2/20 0.61
TSHR P16473 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TP53 P04637 1/20 0.61
MAPT P10636 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
HRH4 Q9H3N8 1/20 0.57
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54

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
SCHEMBL17754110 0.90 P2RY12 (0.76) P2RY12MEN1KMT2AALDH1A1HTT
SCHEMBL17754112 0.90 P2RY12 (0.76) P2RY12MEN1KMT2AALDH1A1HTT
SCHEMBL17754118 0.88 P2RY12 (0.73) P2RY12MEN1KMT2AALDH1A1HTT
SCHEMBL16090487 0.88 P2RY12 (0.60) P2RY12MEN1KMT2AALDH1A1
SCHEMBL5849200 0.87 P2RY12 (1.00) P2RY12MEN1KMT2AALDH1A1HTT
SCHEMBL5849262 0.85 P2RY12 (0.77) P2RY12MEN1KMT2AALDH1A1HTT
SCHEMBL5849393 0.84 P2RY12 (0.89) P2RY12MEN1KMT2AALDH1A1HTT
SCHEMBL5850830 0.83 P2RY12 (0.75) P2RY12MEN1KMT2AALDH1A1HTT
SCHEMBL5849151 0.83 P2RY12 (0.80) P2RY12MEN1KMT2AALDH1A1HTT
SCHEMBL5850512 0.83 P2RY12 (0.75) P2RY12MEN1KMT2AALDH1A1HTT

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-20160137665-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE LEUKEMIA & LYMPHOMA SOCIETY, INC. 2016-05-19 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-20160137665-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 P2RY12 1818/4885MEN1 15/4885KMT2A 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.