SCHEMBL14239706

SCHEMBL14239706

CC(C)c1ccc2ccn(-c3noc(C4CCNCC4)n3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.44
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33
PLAT P00750 4/20 0.33
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
OGA O60502 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
KDM1A O60341 1/20 0.31
SMO Q99835 1/20 0.30
CNR2 P34972 1/20 0.30

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
Hydrochloric Acid SCHEMBL15488169 0.99 NR1H4 (0.43) NR1H4CCNT1CDK9PLATTLR9
SCHEMBL14239712 0.78 HTR4 (0.53) NR1H4TLR9TLR8TLR7
SCHEMBL14239490 0.78 NR1H4 (0.46) NR1H4
SCHEMBL14163286 0.74 SMYD3 (0.33) NR1H4SMO
Trifluoroacetic Acid SCHEMBL15488720 0.70 NR1H4 (0.39) NR1H4SMO
SCHEMBL1673933 0.66 NR1H4 (0.47) NR1H4PLATMAOAMAOBCNR2
SCHEMBL14240106 0.66 NR1H4 (0.46) NR1H4TLR9TLR8TLR7KDM1A
Hydrochloric Acid SCHEMBL514637 0.65 NR1H4 (0.46) NR1H4PLATMAOAMAOBCNR2
Hydrochloric Acid SCHEMBL14158474 0.65 NR1H4 (0.45) NR1H4TLR9TLR8TLR7KDM1A
SCHEMBL12068516 0.64 HRH1 (0.44) NR1H4PLATMAOAMAOB

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-20140057895-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-02-27 US disclosed
US-20140057895-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-02-27 US disclosed
WO-2012169649-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-12-13 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-20140057895-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF HTR4, HTR3B, HTR3A NR1H4 291/4885CCNT1 3842/4885CDK9 1588/4885

“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.