SCHEMBL165178

SCHEMBL165178

O=C(NCc1cccnc1)Nc1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 1.00
MEN1 O00255 3/20 1.00
NAMPT P43490 10/20 0.84
POLB P06746 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
CYP2C9 P11712 1/20 0.67
RAB9A P51151 1/20 0.67

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
SCHEMBL166341 0.92 NAMPT (1.00) KMT2AMEN1NAMPTCYP2C9
SCHEMBL12335507 0.89 MEN1 (0.78) KMT2AMEN1NAMPTPOLBSMN1; SMN2
SCHEMBL29635782 0.89 NAMPT (0.84) KMT2AMEN1NAMPT
SCHEMBL14323404 0.89 NAMPT (0.84) KMT2AMEN1NAMPT
SCHEMBL165284 0.89 NAMPT (0.84) KMT2AMEN1NAMPT
SCHEMBL18317385 0.87 POLB (0.80) KMT2AMEN1NAMPTPOLBSMN1; SMN2
SCHEMBL11614852 0.87 SMN1; SMN2 (0.81) KMT2AMEN1NAMPTPOLBSMN1; SMN2
SCHEMBL12335086 0.86 KMT2A (0.76) KMT2AMEN1NAMPTPOLBSMN1; SMN2
SCHEMBL20379441 0.86 NAMPT (0.86) KMT2AMEN1NAMPTPOLBSMN1; SMN2
SCHEMBL20379731 0.86 NAMPT (0.84) KMT2AMEN1NAMPTPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11279687-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2022-03-22 US disclosed
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
CN-106986856-A It is used as 4 { [(ylmethyl of pyridine 3) amino carbonyl] amino } Benzosulfone derivatives of the NAMPT inhibitor for treating diseases such as cancer 福马TM有限责任公司 2017-07-28 CN disclosed
CN-103270023-B 4- { [ (pyridin-3-yl-methyl) aminocarbonyl ] amino } benzene-sulfone derivatives as NAMPT inhibitors for the treatment of diseases such as cancer 福马TM有限责任公司 2016-11-02 CN 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
CN-103270023-A 4- { [ (pyridin-3-yl-methyl) aminocarbonyl ] amino } benzene-sulfone derivatives as NAMPT inhibitors for the treatment of diseases such as cancer FORMA THERAPEUTICS INC 2013-08-28 CN 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 KMT2A 659/4885MEN1 438/4885NAMPT 1/4885
US-20200283403-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, HAMP, NQO1 KMT2A 1299/4885MEN1 468/4885NAMPT 1/4885
US-11279687-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 KMT2A 659/4885MEN1 438/4885NAMPT 1/4885
US-20180291000-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, HAMP, NQO1 KMT2A 1299/4885MEN1 468/4885NAMPT 1/4885
US-10329275-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 KMT2A 659/4885MEN1 438/4885NAMPT 1/4885
US-20190270721-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, HAMP, NQO1 KMT2A 1299/4885MEN1 468/4885NAMPT 1/4885
US-20130273034-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 KMT2A 1615/4885MEN1 582/4885NAMPT 1/4885

“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.