SCHEMBL1344012

SCHEMBL1344012

O=C(O)NCCc1ccc(F)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.44
PKM P14618 2/20 0.43
NOTUM Q6P988 2/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SPR P35270 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL533899 0.86 MTNR1A (0.57) P2RX7NOTUMMTNR1AMTNR1BKMT2A
SCHEMBL23093435 0.83 P2RX7 (0.55) P2RX7PKMKMT2ANPC1RAB9A
SCHEMBL3637948 0.83 MTNR1A (0.43) P2RX7PKMNOTUMMTNR1AMTNR1B
SCHEMBL17699770 0.83 GLA (0.47) P2RX7NOTUMMTNR1AMTNR1BPOLB
SCHEMBL19376791 0.81 HPGD (0.49) MTNR1AMTNR1BKMT2AALDH1A1SMN1; SMN2
SCHEMBL27611366 0.81 HPGD (0.49) P2RX7POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL3635747 0.79 NQO2 (0.49) P2RX7NOTUMMTNR1AMTNR1BPOLB
SCHEMBL14631807 0.78 RAB9A (0.41) PKMMTNR1AMTNR1BKMT2ANPC1
SCHEMBL8361456 0.78 FFAR1 (0.51) PKMPOLB
SCHEMBL29782739 0.78 FFAR1 (0.51) PKMPOLB

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-8063035-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2011-11-22 US disclosed
US-20100087431-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-04-08 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-20100087431-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP P2RX7 1403/4885PKM 1694/4885NOTUM 3899/4885

“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.