SCHEMBL4434085

SCHEMBL4434085

Cc1ccccc1-c1c(N)c2cnn(F)c2n(C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
BRD4 O60885 1/20 0.37
TACR1 P25103 7/20 0.35
PTPN11 Q06124 1/20 0.35
KCNA3 P22001 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
HBB P68871 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NTRK1 P04629 1/20 0.34
WEE1 P30291 1/20 0.34

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
SCHEMBL115231 0.72 F7 (0.44) F7F3BRD4TACR1KCNA3
SCHEMBL4431925 0.62 KDM4E (0.38) BRD4PTPN11NPC1ALDH1A1TSHR
SCHEMBL115199 0.62 HPGD (0.44) F7F3BRD4TACR1NPC1
SCHEMBL31054315 0.62 HEXA (0.47) NPC1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL116048 0.62 F7 (0.41) F7F3BRD4PTPN11KCNA3
SCHEMBL11910054 0.61 F7 (0.44) F7F3BRD4TACR1TSHR
SCHEMBL29512916 0.61 HEXA (0.43) NPC1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL366602 0.61 HEXA (0.43) NPC1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL11965002 0.60 PTGS2 (0.38) F7F3BRD4TACR1ALDH1A1
SCHEMBL115214 0.60 BRD4 (0.42) F7F3BRD4TACR1KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080546-B2 Pyrazolo-pyridinone derivatives and methods of use AMGEN INC. (US) 2011-12-20 US disclosed
US-20090137582-A1 Pyrazolo-pyridinone derivatives and methods of use AMGEN INC. (US) 2009-05-28 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 (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-20090137582-A1 Pyrazolo-pyridinone derivatives and methods of use IL1B, IL1R1, IL1A F7 793/4885F3 168/4885BRD4 1204/4885

“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.