Sugi Predict

Sugi Predict / Compounds / SCHEMBL161844

SCHEMBL161844

SCHEMBL161844

CSC(=NC#N)Nc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ABCC9 O60706 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ KCNJ11 Q14654 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL161843 1.00 CYP3A4 (0.41) CYP3A4CYP1A2CYP2C9ALOX15NFKB1
SCHEMBL22147348 1.00 CYP3A4 (0.41) CYP3A4CYP1A2CYP2C9ALOX15NFKB1
SCHEMBL13106903 0.87 RAF1 (0.42) MAPK1ALDH1A1LMNAKDM4EKMT2A
SCHEMBL162151 0.83 LMNA (0.52) CYP3A4CYP1A2MAPK1HIF1AABCC9
SCHEMBL162150 0.83 LMNA (0.52) CYP3A4CYP1A2MAPK1HIF1AABCC9
SCHEMBL13105581 0.82 IDO1 (0.46) CYP3A4MAPK1HSD17B10ABCC9ALDH1A1
SCHEMBL16471293 0.82 IDO1 (0.46) CYP3A4MAPK1HSD17B10ABCC9ALDH1A1
SCHEMBL15881324 0.82 SMARCA2 (0.43) KMT2AMEN1
SCHEMBL19069839 0.81 ALDH1A1 (0.41) CYP3A4CYP1A2CYP2C19ALDH1A1LMNA
SCHEMBL16013312 0.81 SMARCA2 (0.48) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421210-B2 Fused bicyclic heterocycles as therapeutic agents NEW YORK UNIVERSITY (US) 2025-09-23 — — US disclosed
EP-3856735-B1 FUSED BICYCLIC HETEROCYCLES AS THERAPEUTIC AGENTS UNIV NEW YORK (US) 2023-09-06 — — EP disclosed
US-20210395222-A1 Fused Bicyclic Heterocycles as Therapeutic Agents NEW YORK UNIVERSITY 2021-12-23 — — US disclosed
EP-3856735-A1 FUSED BICYCLIC HETEROCYCLES AS THEREAPEUTIC AGENTS New York University (US) 2021-08-04 — — EP disclosed
WO-2020073031-A1 FUSED BICYCLIC HETEROCYCLES AS THEREAPEUTIC AGENTS NEW YORK UNIVERSITY (US) 2020-04-09 — — WO disclosed
US-9676721-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2017-06-13 — — US disclosed
EP-1838696-B1 NOVEL CYANOGUANIDINE COMPOUNDS LEO PHARMA AS (DK) 2016-03-09 — — EP disclosed
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 — — US disclosed
EP-2611778-B1 GUANIDINE COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM LLC (US) 2015-08-05 — — EP disclosed
US-20130317027-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2013-11-28 — — US disclosed
EP-2542086-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Myrexis, Inc. (US) 2013-01-09 — — EP disclosed
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-12-27 — — US disclosed
WO-2012031199-A1 GUANIDINE COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 — — WO disclosed
US-8053446-B2 Cyanoguanidine compounds LEO PHARMA A/S (DK) 2011-11-08 — — US disclosed
WO-2011109441-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2011-09-09 — — WO disclosed
US-7807682-B2 Pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2010-10-05 — — US disclosed
EP-1397355-B1 PYRIDYL CYANOGUANIDINE COMPOUNDS LEO PHARMA AS (DK) 2009-09-09 — — EP disclosed
US-20080312275-A1 Novel Cyanoguanidine Compounds LEO PHARMA A/S (DK) 2008-12-18 — — US disclosed
US-20080090842-A1 Novel pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2008-04-17 — — US disclosed
US-7304066-B2 Pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2007-12-04 — — US 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-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 CYP3A4 3993/4885CYP1A2 3487/4885CYP2C9 4352/4885
US-12421210-B2 Fused bicyclic heterocycles as therapeutic agents NAMPT, NQO1, NAPRT CYP3A4 4662/4885CYP1A2 4465/4885CYP2C9 4716/4885
US-20080312275-A1 Novel Cyanoguanidine Compounds MKI67, CCNA1, COL1A1 CYP3A4 4368/4885CYP1A2 1397/4885CYP2C9 2044/4885
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 CYP3A4 3993/4885CYP1A2 3487/4885CYP2C9 4352/4885
US-20080090842-A1 Novel pyridyl cyanoguanidine compounds DAO, CCNY, CBR1 CYP3A4 862/4885CYP1A2 940/4885CYP2C9 82/4885
US-20130317027-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 CYP3A4 3993/4885CYP1A2 3487/4885CYP2C9 4352/4885
US-20210395222-A1 Fused Bicyclic Heterocycles as Therapeutic Agents NAMPT, NQO1, NAPRT CYP3A4 4662/4885CYP1A2 4465/4885CYP2C9 4716/4885

“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.