SCHEMBL4298743

SCHEMBL4298743

OC(=S)N(c1ccccn1)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
BLM P54132 2/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
MCL1 Q07820 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 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
SCHEMBL11117629 0.92 HTT (0.41) HTTNPSR1TP53CYP2D6CYP2C19
SCHEMBL9585217 0.90 ALDH1A1 (0.45) HTTNPSR1TP53CYP2D6CYP2C19
SCHEMBL11121870 0.81 NPSR1 (0.45) HTTNPSR1TP53CYP2D6CYP2C19
SCHEMBL11117623 0.79 NPSR1 (0.44) HTTNPSR1TP53CYP2D6CYP2C19
SCHEMBL11338231 0.79 CYP2D6 (0.47) HTTNPSR1TP53CYP2D6CYP2C19
Zinc Ion SCHEMBL211347 0.79 NPSR1 (0.44) HTTNPSR1TP53CYP2D6CYP2C19
SCHEMBL935444 0.78 HTT (0.54) HTTNPSR1TP53TSHRALDH1A1
SCHEMBL11620656 0.78 NPSR1 (0.42) HTTNPSR1TP53CYP2D6CYP2C19
SCHEMBL10855054 0.74 NPSR1 (0.50) HTTNPSR1TP53TSHRALDH1A1
SCHEMBL3726837 0.72 HTT (0.53) HTTNPSR1TP53CYP2D6CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270391-A1 THIENOPYRIDINE DERIVATIVE, OR QUINOLINE DERIVATIVE, OR QUINAZOLINE DERIVATIVE, HAVING c-MET AUTOPHOSPHORYLATION INHIBITING POTENCY KIRIN PHARMA KABUSHIKI KAISHA (JP) 2009-10-29 US disclosed
EP-1870414-A1 THIENOPYRIDINE DERIVATIVE, OR QUINOLINE DERIVATIVE, OR QUINAZOLINE DERIVATIVE, HAVING C-MET AUTOPHOSPHORYLATION INHIBITING POTENCY Kirin Pharma Kabushiki Kaisha (JP) 2007-12-26 EP disclosed
WO-2005115147-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2005-12-08 WO 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-20090270391-A1 THIENOPYRIDINE DERIVATIVE, OR QUINOLINE DERIVATIVE, OR QUINAZOLINE DERIVATIVE, HAVING c-MET AUTOPHOSPHORYLATION INHIBITING POTENCY MET, ABL1, RET HTT 3770/4885NPSR1 1415/4885TP53 159/4885

“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.