SCHEMBL3028344

SCHEMBL3028344

O=C(O)NC(=S)Nc1cccc(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.50
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
ALDH1A1 P00352 7/20 0.49
GAA P10253 4/20 0.49
KDM4E B2RXH2 1/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 1/20 0.48
SORT1 Q99523 1/20 0.47
CYP1A2 P05177 4/20 0.46
CYP3A4 P08684 4/20 0.46
CYP2C19 P33261 4/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.45
AGTR1 P30556 1/20 0.45
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL7841708 0.83 ALDH1A1 (0.48) GRM5KMT2AMEN1NPC1RAB9A
SCHEMBL1514097 0.83 GRM5 (0.58) GRM5KMT2AMEN1RAB9AALDH1A1
SCHEMBL4327363 0.82 KMT2A (0.74) GRM5KMT2AMEN1NPC1RAB9A
SCHEMBL2771743 0.81 RAB9A (0.49) GRM5KMT2AMEN1NPC1RAB9A
SCHEMBL1292284 0.77 KMT2A (0.38) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL25403743 0.77 RAB9A (0.60) GRM5KMT2AMEN1NPC1RAB9A
SCHEMBL3028699 0.76 MEN1 (0.43) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL2773739 0.75 RXFP1 (0.47) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL24516633 0.75 NPC1 (0.53) GRM5KMT2AMEN1NPC1RAB9A
SCHEMBL25403220 0.74 ALDH1A1 (0.69) GRM5KMT2AMEN1ALDH1A1GAA

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-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 US disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 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 (2 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-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MAP3K5, MAPKAPK5, MAP3K9 GRM5 1597/4885KMT2A 2653/4885MEN1 3192/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 GRM5 1597/4885KMT2A 2653/4885MEN1 3192/4885

“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.