SCHEMBL161950

SCHEMBL161950

FC(F)(F)c1cn2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.49
NPC1 O15118 8/20 0.49
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
SCN5A Q14524 1/20 0.46
KDM4E B2RXH2 5/20 0.45
POLB P06746 1/20 0.45
HDAC4 P56524 1/20 0.44
DHFR P00374 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GFER P55789 2/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
SSTR4 P31391 1/20 0.42

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
SCHEMBL30339144 0.85 RAB9A (0.46) RAB9ANPC1PTGS1PTGS2KDM4E
SCHEMBL10129490 0.81 SSTR4 (0.48) RAB9ANPC1PTGS1PTGS2KDM4E
SCHEMBL16595330 0.80 PTGS1 (0.55) RAB9ANPC1PTGS1PTGS2KDM4E
SCHEMBL9796679 0.78 SSTR4 (0.46) RAB9ANPC1PTGS1PTGS2KDM4E
SCHEMBL23562883 0.78 RAB9A (0.45) RAB9ANPC1PTGS1PTGS2KDM4E
SCHEMBL3313092 0.75 RAB9A (0.65) RAB9ANPC1PTGS1PTGS2KDM4E
SCHEMBL18517250 0.75 NPC1 (0.48) RAB9ANPC1PTGS1PTGS2KDM4E
SCHEMBL29320765 0.75 SSTR4 (0.47) RAB9ANPC1PTGS1PTGS2KDM4E
SCHEMBL20208548 0.75 SCN5A (0.68) RAB9ANPC1SCN5AKDM4ESMN1; SMN2
SCHEMBL12056714 0.73 SCN5A (0.54) RAB9ANPC1PTGS1PTGS2SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-10-29 US claimed
US-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2019-04-11 US claimed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US claimed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US claimed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP claimed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed
EP-2231660-A1 IMIDAZO [1,2-A] PYRIDINE COMPOUNDS Wyeth LLC (US) 2010-09-29 EP claimed
WO-2009086123-A1 IMIDAZO [1,2-A] PYRIDINE COMPOUNDS WYETH (US) 2009-07-09 WO claimed
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2025-06-24 US disclosed
US-20240327410-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2024-10-03 US disclosed
WO-2024175804-A1 NUCLEAR TRANSPORT MODULATORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-08-29 WO disclosed
US-11993601-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV 2024-05-28 US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
WO-2010065760-A1 IMIDAZO [1,2A] PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION EXELIXIS, INC. (US) 2010-06-10 WO disclosed
US-20090312333-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2009-12-17 US disclosed
EP-0238070-B1 Sulfonylurea compounds, their production and herbicidal use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-29 EP disclosed
US-5017212-A For rice paddies TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-05-21 US disclosed
EP-0238070-A2 Sulfonylurea compounds, their production and herbicidal use Takeda Chemical Industries, Ltd. (JP) 1987-09-23 EP 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 (11 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-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 RAB9A 1445/4885NPC1 123/4885PTGS1 1980/4885
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NNT RAB9A 1657/4885NPC1 161/4885PTGS1 1930/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 RAB9A 1445/4885NPC1 123/4885PTGS1 1980/4885
US-20090312333-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses CYP3A4, CYP1B1, CYP2D6 RAB9A 547/4885NPC1 416/4885PTGS1 211/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 RAB9A 1445/4885NPC1 123/4885PTGS1 1980/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 RAB9A 1917/4885NPC1 174/4885PTGS1 1975/4885
US-11993601-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP RAB9A 994/4885NPC1 826/4885PTGS1 940/4885
US-20240327410-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP RAB9A 994/4885NPC1 826/4885PTGS1 940/4885
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 RAB9A 1917/4885NPC1 174/4885PTGS1 1975/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 RAB9A 1445/4885NPC1 123/4885PTGS1 1980/4885
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using S1PR1, S1PR5, S1PR3 RAB9A 2844/4885NPC1 241/4885PTGS1 521/4885

“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.