SCHEMBL4178245

SCHEMBL4178245

NCc1nc2cccc(Cl)c2nc1-c1ccccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
HSD11B1 P28845 2/20 0.39
USP1 O94782 7/20 0.36
WDR48 Q8TAF3 7/20 0.36
TRPA1 O75762 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
PARP1 P09874 1/20 0.36
SCN9A Q15858 1/20 0.35
MPL P40238 1/20 0.35
BACE1 P56817 1/20 0.34
C1R P00736 1/20 0.34
P2RX7 Q99572 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 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
SCHEMBL10251415 0.95 DPP4 (0.42) DPP4HSD11B1USP1WDR48TRPA1
SCHEMBL4178180 0.88 HSD11B1 (0.39) DPP4HSD11B1USP1WDR48TRPA1
SCHEMBL27781199 0.85 HSD11B1 (0.37) DPP4HSD11B1USP1WDR48TRPA1
SCHEMBL4178860 0.85 DPP4 (0.44) DPP4PARP1
SCHEMBL27802783 0.82 HSD11B1 (0.34) DPP4HSD11B1USP1WDR48TRPA1
SCHEMBL16453540 0.81 DPP4 (0.39) DPP4
SCHEMBL4174202 0.81 HSD11B1 (0.47) HSD11B1TRPA1TRPM8TRPV1CYP1A2
SCHEMBL4429900 0.81 HSD11B1 (0.40) DPP4HSD11B1MPLP2RX7
SCHEMBL4174947 0.80 DPP4 (0.44) DPP4PARP1
SCHEMBL4178923 0.78 DPP4 (0.40) DPP4

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2020-02-13 US disclosed
US-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2020-02-13 US disclosed
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2018-04-19 US disclosed
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2018-04-19 US disclosed
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2018-04-19 US disclosed
US-9873701-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
US-9873701-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
US-9873701-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
EP-3045458-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2016-07-20 EP disclosed
EP-3045458-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2016-07-20 EP disclosed
US-20120220585-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-08-30 US disclosed
US-8193199-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2012-06-05 US disclosed
US-8193199-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2012-06-05 US disclosed
US-8193199-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2012-06-05 US disclosed
EP-2137186-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2009-12-30 EP disclosed
US-20090137581-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-05-28 US disclosed
US-20090137581-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-05-28 US disclosed
US-20090137581-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-05-28 US disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 WO disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 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 (4 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-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 DPP4 4588/4885HSD11B1 2935/4885USP1 1264/4885
US-20090137581-A1 Heterocyclic compounds and their uses MCL1, BCL9, MALT1 DPP4 4588/4885HSD11B1 2935/4885USP1 1264/4885
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 DPP4 4588/4885HSD11B1 2935/4885USP1 1264/4885
US-20120220585-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 DPP4 4588/4885HSD11B1 2935/4885USP1 1264/4885

“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.