SCHEMBL529884

SCHEMBL529884

CN(C(=O)c1ccccc1F)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.64
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
HSD17B10 Q99714 1/20 0.51
KDM4E B2RXH2 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
GRM1 Q13255 1/20 0.48
MAOB P27338 1/20 0.48
GAA P10253 2/20 0.47
ALOX15 P16050 1/20 0.47
NR1H3 Q13133 1/20 0.46
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL3837771 0.88 POLB (0.58) POLBKMT2AMEN1HSD17B10KDM4E
SCHEMBL9001638 0.86 POLB (0.75) POLBKMT2AKDM4EHTTMAOB
SCHEMBL13816832 0.84 HSD17B1 (0.53) POLBKMT2AMEN1HSD17B10KDM4E
SCHEMBL18816712 0.83 POLB (0.53) POLBKMT2AMEN1KDM4ECES2
SCHEMBL18160220 0.82 POLB (0.51) POLBKMT2AMEN1KDM4ERAB9A
SCHEMBL17554068 0.81 MEN1 (0.54) POLBKMT2AMEN1HSD17B10KDM4E
SCHEMBL18146425 0.80 POLB (0.50) POLBKMT2AMEN1KDM4EHTT
SCHEMBL254968 0.80 MEN1 (0.61) POLBKMT2AMEN1HSD17B10KDM4E
SCHEMBL16121165 0.80 NR1H3 (0.68) HTTGAANR1H3
SCHEMBL18160440 0.80 POLB (0.57) POLBKMT2AMEN1KDM4EHTT

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
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed
US-9975897-B2 Pyrazolopyrimidine derivatives useful as inhibitors of Bruton's tyrosine kinase LOXO ONCOLOGY, INC. (US) 2018-05-22 US disclosed
US-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase LOXO ONCOLOGY, INC. 2017-05-11 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-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LCK POLB 2100/4885KMT2A 1596/4885MEN1 3045/4885

“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.