SCHEMBL176060

SCHEMBL176060

CC(C)(C)NC(=O)Oc1ccc(CN)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
GAA P10253 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BRS3 P32247 1/20 0.35
KLKB1 P03952 1/20 0.35
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ACACB O00763 3/20 0.33
TPSAB1 Q15661 2/20 0.33
ACACA Q13085 2/20 0.33
PLG P00747 1/20 0.33
PRSS1 P07477 1/20 0.33
SCN9A Q15858 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33

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
SCHEMBL27796858 0.87 CCNE1 (0.37) CCNE1CDK2GSK3BGAANPC1
SCHEMBL27603373 0.86 CCNE1 (0.37) CCNE1CDK2GSK3BGAANPC1
SCHEMBL27851405 0.79 KDM4E (0.51) GAANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL27649076 0.79 LOXL2 (0.53) LOXL2
SCHEMBL27697913 0.78 GAA (0.35) GAANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL28525527 0.78 KDM4E (0.42) GAANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL27851371 0.77 KMT2A (0.44) NPC1RAB9ASMN1; SMN2TSHRKDM4E
SCHEMBL27668968 0.77 LOXL2 (0.46) LOXL2NPC1RAB9AKLKB1TPSAB1
SCHEMBL28579573 0.77 GAA (0.36) GAANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL28375723 0.77 GABRP (0.40) LOXL2KLKB1ACACBTPSAB1ACACA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200283403-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2020-09-10 US disclosed
US-10647695-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2020-05-12 US disclosed
US-20190270721-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2019-09-05 US disclosed
US-10329275-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-06-25 US disclosed
US-20180291000-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2018-10-11 US disclosed
EP-2611777-B1 N-(4-{[PYRIDIN-3-YL-METHYL)CARBAMOYL]AMINO}BENZENE-SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER FORMA TM LLC (US) 2016-05-11 EP disclosed
US-20130273034-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2013-10-17 US disclosed
EP-2611777-A1 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL]AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER Forma TM, LLC. (US) 2013-07-10 EP disclosed
WO-2012031196-A9 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL] AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER FORMA TM, LLC (US) 2013-06-13 WO disclosed
WO-2012031196-A1 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL] AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO disclosed
CN-1918124-A New pyridin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-02-21 CN disclosed
CN-1894214-A New 5,6-dihydropyrin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-01-10 CN 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 (6 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-10647695-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 LOXL2 4625/4885CCNE1 3550/4885CDK2 865/4885
US-20200283403-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, HAMP, NQO1 LOXL2 4547/4885CCNE1 3751/4885CDK2 1327/4885
US-20180291000-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, HAMP, NQO1 LOXL2 4547/4885CCNE1 3751/4885CDK2 1327/4885
US-10329275-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 LOXL2 4625/4885CCNE1 3550/4885CDK2 865/4885
US-20190270721-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, HAMP, NQO1 LOXL2 4547/4885CCNE1 3751/4885CDK2 1327/4885
US-20130273034-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 LOXL2 4412/4885CCNE1 4362/4885CDK2 1415/4885

“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.