SCHEMBL4431925

SCHEMBL4431925

Cn1c(=O)c(-c2ccccc2F)c(N)c2cn[nH]c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
METAP2 P50579 2/20 0.37
PTPN11 Q06124 1/20 0.37
GRM4 Q14833 1/20 0.35
BRD4 O60885 1/20 0.34
PTK2 Q05397 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 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
SCHEMBL3636348 0.72 BRD4 (0.36) BRD4PTK2LMNAFGFR1
SCHEMBL1360281 0.69 ALDH1A1 (0.41) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4434085 0.62 F7 (0.38) NPC1RAB9ASMN1; SMN2PTPN11BRD4
SCHEMBL6491692 0.62 PARP1 (0.45) NPC1RAB9ASMN1; SMN2METAP2PTK2
SCHEMBL6491506 0.61 TRPA1 (0.46) NPC1RAB9ASMN1; SMN2METAP2TRPA1
SCHEMBL28198038 0.60 METAP2 (0.64) METAP2BRD4TRPA1
SCHEMBL4724453 0.60 RXFP1 (0.38) KDM4EMAPTHSD17B10KMT2AMEN1
SCHEMBL17589452 0.60 ADORA2A (0.42) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL20722930 0.59 AKT2 (0.59) KDM4EKMT2AALDH1A1
SCHEMBL10927955 0.59 AKT2 (0.44) KDM4EKMT2AALDH1A1NOTUM

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 KDM4E 3991/4885NPC1 4416/4885MAPT 2246/4885

“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.