SCHEMBL2145125

SCHEMBL2145125

O=CCCc1ccc(Br)cc1F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.48
PYCR1 P32322 1/20 0.41
AKR1B1 P15121 1/20 0.38
DGAT1 O75907 1/20 0.38
CHRM5 P08912 1/20 0.37
KDM1A O60341 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
TRAP1 Q12931 2/20 0.35
HSP90B1 P14625 1/20 0.35
MTNR1B P49286 1/20 0.35
NAAA Q02083 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35

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
SCHEMBL1487567 0.85 PDPK1 (0.35) PDPK1PYCR1DGAT1NPC1RAB9A
SCHEMBL15660236 0.81 ERN1 (0.44) PDPK1
SCHEMBL895534 0.81 IDO1 (0.50)
SCHEMBL8205 0.81 PDPK1 (0.43) PDPK1PYCR1AKR1B1DGAT1CHRM5
SCHEMBL7591050 0.81 HSP90AA1 (0.39) PDPK1PYCR1HSP90AA1
SCHEMBL27753798 0.79 PDPK1 (0.44) PDPK1PYCR1AKR1B1DGAT1CHRM5
SCHEMBL2094594 0.78 PYCR1 (0.46) PDPK1PYCR1AKR1B1DGAT1CHRM5
SCHEMBL14405277 0.78 SMN1; SMN2 (0.36)
SCHEMBL17713325 0.78 PYCR1 (0.41) PDPK1PYCR1CHRM5NPC1RAB9A
SCHEMBL1922045 0.78 PYCR1 (0.41) PYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023208172-A1 SUBSTITUTED 7- (PYRIMIDIN-4-YL) QUINOLIN-4 (1H) -ONE COMPOUNDS AS CYCLIN DEPENDENT KINASE INHIBITORS BEIGENE , LTD. (KY) 2023-11-02 WO disclosed
US-9901571-B2 Tetrahydropyrazolopyridine derivatives as ghrelin receptor agonists RAQUALIA PHARMA INC. (JP) 2018-02-27 US disclosed
US-20170304277-A1 TETRAHYDROPYRAZOLOPYRIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS RAQUALIA PHARMA INC. (JP) 2017-10-26 US disclosed
EP-3212648-A1 TETRAHYDROPYRAZOLOPYRIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS RaQualia Pharma Inc. (JP) 2017-09-06 EP disclosed
WO-2016067638-A1 TETRAHYDROPYRAZOLOPYRIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS RAQUALIA PHARMA INC. (JP) 2016-05-06 WO disclosed
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 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-20170304277-A1 TETRAHYDROPYRAZOLOPYRIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS GHSR, GHRHR, GIPR PDPK1 793/4885PYCR1 845/4885AKR1B1 1729/4885

“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.