SCHEMBL115405

SCHEMBL115405

Cc1nc(C)nc(Nc2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
GAA P10253 2/20 0.57
MAPK1 P28482 2/20 0.57
NFKB1 P19838 1/20 0.57
KDM4E B2RXH2 1/20 0.57
KCNH3 Q9ULD8 4/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CHEK1 O14757 1/20 0.52
IKBKB O14920 1/20 0.52
AURKA O14965 1/20 0.52
PDPK1 O15530 1/20 0.52
CHEK2 O96017 1/20 0.52

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
SCHEMBL11936604 0.95 MAPT (0.63) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL4569978 0.88 LMNA (0.71) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL19457760 0.86 KCNH3 (0.49) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL8908228 0.86 GAA (0.81) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL8908232 0.86 NFKB1 (0.75) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL23264222 0.86 KCNH3 (0.49) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL796156 0.86 BCL6 (0.61) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL11236903 0.85 IDH2 (0.64) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL8910293 0.83 ALDH1A1 (0.80) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL12530695 0.83 KCNH3 (0.70) MAPTNFKB1KCNH3LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200348595-A1 COMPOSITION, FILM, AND PRODUCTION METHOD OF PATTERNED SUBSTRATE JSR CORPORATION (JP) 2020-11-05 US disclosed
US-9790453-B2 Dye polymer CONOPCO, INC. (US) 2017-10-17 US disclosed
US-8679195-B2 Tanning process and tanning composition CLARIANT FINANCE (BVI) LIMITED (VG) 2014-03-25 US disclosed
US-8318935-B2 Organic compounds 75074 NOVARTIS AG (CH) 2012-11-27 US disclosed
US-8318935-B2 Organic compounds 75074 NOVARTIS AG (CH) 2012-11-27 US disclosed
US-8188273-B2 Insecticidal (1,3,5)-triazinyl phenyl hydrazones DOW AGROSCIENCES, LLC. (US) 2012-05-29 US disclosed
US-20120058357-A1 Tanning Process and Tanning Composition CLARIANT FINANCE (BVI) LIMITED (VG) 2012-03-08 US disclosed
US-20120040837-A1 INSECTICIDAL (1,3,5)-TRIAZINYL PHENYL HYDRAZONES DOW AGROSCIENCES LLC (US) 2012-02-16 US disclosed
US-8067588-B2 Insecticidal (1,3,5)-triazinyl phenyl hydrazones DOW AGROSCIENCES LLC (US) 2011-11-29 US disclosed
EP-2332933-A1 Epithelial sodium channel (ENaC) inhibitors Novartis AG (CH) 2011-06-15 EP disclosed
US-20100105660-A1 ORGANIC COMPOUNDS75074 NOVARTIS AG (CH) 2010-04-29 US disclosed
US-20100105660-A1 ORGANIC COMPOUNDS75074 NOVARTIS AG (CH) 2010-04-29 US disclosed
US-20090093481-A1 INSECTICIDAL (1,3,5)-TRIAZINYL PHENYL HYDRAZONES DOW AGROSCIENCES LLC (US) 2009-04-09 US disclosed
US-20090041938-A1 MIXTURES OF FIBRE REACTIVE DYES PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-02-12 US disclosed
WO-2008135557-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-11-13 WO disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-7425222-B2 Process for improving the sun protection factor of cellulosic fibre material CIBA SPECIALTY CHEMICALS CORP. (US) 2008-09-16 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 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 (5 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-20090093481-A1 INSECTICIDAL (1,3,5)-TRIAZINYL PHENYL HYDRAZONES HELZ, API5, CRYZ MAPT 2948/4885MEN1 3633/4885KMT2A 1091/4885
US-20200348595-A1 COMPOSITION, FILM, AND PRODUCTION METHOD OF PATTERNED SUBSTRATE FN1, COL1A1, FEM1B MAPT 1331/4885MEN1 457/4885KMT2A 2395/4885
US-20100105660-A1 ORGANIC COMPOUNDS75074 SCNN1A, TRPM4, TRPV4 MAPT 292/4885MEN1 707/4885KMT2A 4259/4885
US-20120040837-A1 INSECTICIDAL (1,3,5)-TRIAZINYL PHENYL HYDRAZONES HELZ, API5, CRYZ MAPT 2948/4885MEN1 3633/4885KMT2A 1091/4885
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE KCNT1, KCNMA1, KCNJ2 MAPT 158/4885MEN1 2356/4885KMT2A 274/4885

“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.