SCHEMBL14976641

SCHEMBL14976641

COc1ccc2c(I)cn(S(=O)(=O)c3ccccc3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
BRD4 O60885 1/20 0.45
HTR6 P50406 12/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
S1PR4 O95977 1/20 0.40
MAPT P10636 1/20 0.40
S1PR1 P21453 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
PAX8 Q06710 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP2C19 P33261 1/20 0.38
HTR2A P28223 2/20 0.38
HTR7 P34969 2/20 0.37
LMNA P02545 2/20 0.36

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
SCHEMBL20354773 0.84 HTR6 (0.39) MTNR1AMTNR1BHTR6MEN1KMT2A
SCHEMBL24583097 0.80 BRD4 (0.45) BRD4HTR6MEN1KMT2ACYP2C19
SCHEMBL15778909 0.78 BRD4 (0.60) BRD4
SCHEMBL1963075 0.77 CYP2C19 (0.57) BRD4HTR6MEN1KMT2APOLB
SCHEMBL24584311 0.76 BRD4 (0.43) BRD4HTR6MEN1KMT2APOLB
SCHEMBL1268099 0.76 BRD4 (0.58) BRD4HTR6MEN1KMT2APOLB
SCHEMBL25158089 0.74 BRD4 (0.47) BRD4HTR6MEN1KMT2ACYP2C19
SCHEMBL1267767 0.73 CYP2C19 (0.56) BRD4HTR6L3MBTL1CYP2C19LMNA
SCHEMBL1050209 0.72 BRD4 (0.43) BRD4HTR6MEN1KMT2APOLB
SCHEMBL2110804 0.72 BRD4 (0.43) BRD4HTR6MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794602-B1 3-CYANARYL-1H-PYRAZOLO(2.3-B) PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2017-11-29 EP disclosed
US-9102675-B2 3-Cyanoaryl-1H-pyrrolo[2,3-B] pyridine derivatives MERCK PATENT GMBH (DE) 2015-08-11 US disclosed
US-20140323481-A1 3-CYANOARYL-1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-10-30 US disclosed
EP-2794602-A1 3-CYANARYL-1H-PYRAZOLO(2.3-B) PYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2014-10-29 EP disclosed
WO-2013075785-A1 3-CYANARYL-1H-PYRAZOLO[2.3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-05-30 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-20140323481-A1 3-CYANOARYL-1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES TBK1, NFKBIA, IKBKG MTNR1A 3287/4885MTNR1B 3765/4885BRD4 176/4885

“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.