SCHEMBL160935

SCHEMBL160935

N#CN=C(N)Nc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.44
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ABCC9 O60706 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
KCNJ11 Q14654 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL15366862 1.00 MDM2 (0.44) MDM2CYP3A4CYP1A2CYP2C9ALOX15
SCHEMBL11232538 0.81 GRIN2D (0.55) CYP3A4HSD17B10ALDH1A1LMNANPSR1
SCHEMBL15094415 0.81 GRIN2D (0.55) CYP3A4HSD17B10ALDH1A1LMNANPSR1
SCHEMBL2801168 0.80 LMNA (0.53) CYP3A4CYP1A2MAPK1HIF1AABCC9
SCHEMBL2801166 0.80 LMNA (0.53) CYP3A4CYP1A2MAPK1HIF1AABCC9
SCHEMBL4679717 0.80 LMNA (0.53) CYP3A4CYP1A2MAPK1HIF1AABCC9
SCHEMBL9701789 0.79 PEPD (0.48) CYP3A4NFKB1MAPK1ALDH1A1LMNA
SCHEMBL1983930 0.78 NPC1 (0.50) CYP3A4CYP1A2CYP2C9ALOX15MAPK1
SCHEMBL1983932 0.78 NPC1 (0.50) CYP3A4CYP1A2CYP2C9ALOX15MAPK1
SCHEMBL11236640 0.78 GRIN2D (0.58) CYP3A4CYP1A2CYP2C19ALDH1A1KDM4E

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
CN-116283953-B Indoline compound containing thiazole structure, and preparation method and application thereof 沈阳药科大学 2024-02-02 CN disclosed
US-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEAGEN INC (US) 2024-01-18 US disclosed
CN-116283953-A Indoline compound containing thiazole structure, and preparation method and application thereof 沈阳药科大学 2023-06-23 CN disclosed
US-20220257781-A1 POLYMER CONJUGATE BONDED TO TERTIARY AMINE COMPOUND OR IMINE COMPOUND AND PRODUCTION METHOD THEREFOR SEIKAGAKU CORPORATION (JP) 2022-08-18 US disclosed
US-20200138964-A1 TERTIARY AMINE COMPOUND OR IMINE COMPOUND-POLYMER CONJUGATE AND PRODUCTION METHOD THEREFOR SEIKAGAKU CORPORATION (JP) 2020-05-07 US disclosed
US-9676721-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2017-06-13 US disclosed
US-20130295051-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2013-11-07 US disclosed
EP-2611778-A1 GUANIDINE COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP disclosed
WO-2012031199-A1 GUANIDINE COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO disclosed
EP-1507760-A1 CYANOGUANIDINE PRODRUGS Leo Pharma A/S (DK) 2005-02-23 EP disclosed
WO-2003097601-A1 CYANOGUANIDINE PRODRUGS LEO PHARMA A/S (DK) 2003-11-27 WO disclosed
WO-2002042276-A1 QUARTERNARY PROFORMS OF TERTIARY AMINE CONTAINING COMPOUNDS LEO PHARMA A/S (DK) 2002-05-30 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-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS NAMPT, NAPRT, NNMT MDM2 3367/4885CYP3A4 4861/4885CYP1A2 4818/4885
US-20220257781-A1 POLYMER CONJUGATE BONDED TO TERTIARY AMINE COMPOUND OR IMINE COMPOUND AND PRODUCTION METHOD THEREFOR ODC1, DOHH, SMYD2 MDM2 3240/4885CYP3A4 1937/4885CYP1A2 3805/4885
US-20130295051-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 MDM2 4871/4885CYP3A4 2406/4885CYP1A2 2312/4885
US-20200138964-A1 TERTIARY AMINE COMPOUND OR IMINE COMPOUND-POLYMER CONJUGATE AND PRODUCTION METHOD THEREFOR SOAT1, SLC7A1, ODC1 MDM2 3034/4885CYP3A4 1037/4885CYP1A2 2394/4885

“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.