SCHEMBL4179002

SCHEMBL4179002

NCc1cc2cccc(Cl)c2nc1-c1ccccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.42
SCN9A Q15858 7/20 0.38
CYP2C9 P11712 1/20 0.38
DPP4 P27487 2/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TRPA1 O75762 1/20 0.36
GRIN2B Q13224 1/20 0.35

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
SCHEMBL10251492 0.89 PIK3CD (0.43) PIK3CDSCN9ACYP2C9POLBNPSR1
SCHEMBL4169782 0.88 SCN9A (0.43) PIK3CDSCN9ACYP2C9
Hydrochloric Acid SCHEMBL4174187 0.88 PIK3CD (0.42) PIK3CDSCN9ACYP2C9POLBNPSR1
SCHEMBL16270349 0.85 PIK3CD (0.43) PIK3CDDPP4
SCHEMBL27781339 0.83 PIK3CD (0.39) PIK3CDSCN9ACYP2C9POLBNPSR1
SCHEMBL4178087 0.82 DPP4 (0.51) PIK3CDDPP4
SCHEMBL12014803 0.81 PIK3CD (0.43) PIK3CDSCN9ACYP2C9
SCHEMBL4174252 0.80 PIK3CD (0.41) PIK3CDDPP4
SCHEMBL4173460 0.80 POLB (0.39) SCN9ACYP2C9POLBNPSR1TRPA1
SCHEMBL27781234 0.79 PIK3CD (0.40) PIK3CDSCN9ACYP2C9POLBNPSR1

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 PIK3CD 16/4885SCN9A 2216/4885CYP2C9 2845/4885
US-20090137581-A1 Heterocyclic compounds and their uses MCL1, BCL9, MALT1 PIK3CD 16/4885SCN9A 2216/4885CYP2C9 2845/4885
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885SCN9A 2216/4885CYP2C9 2845/4885
US-20120220585-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885SCN9A 2216/4885CYP2C9 2845/4885

“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.