SCHEMBL20499792

SCHEMBL20499792

CC(=O)Nc1cc(Cl)nc(N(C)c2ccc3ncccc3c2)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 2/20 0.48
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
NPC1 O15118 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HDAC3 O15379 2/20 0.40
ALOX15 P16050 1/20 0.39
PLK1 P53350 1/20 0.39
TNIK Q9UKE5 1/20 0.38
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
PABPC1 P11940 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL21167679 0.82 HDAC3 (0.46) HDAC1HDAC2NPC1MEN1KMT2A
SCHEMBL12544218 0.76 HDAC3 (0.47) HDAC1HDAC2MEN1KMT2AHDAC3
SCHEMBL12544009 0.72 DOT1L (0.41) DOT1LNPC1MEN1KMT2APOLB
SCHEMBL29728201 0.68 NPC1 (0.77) NPC1MEN1KMT2APOLBMAPT
SCHEMBL1538297 0.68 NPC1 (0.77) NPC1MEN1KMT2APOLBMAPT
SCHEMBL12544453 0.66 MET (0.53)
SCHEMBL8856100 0.66 MEN1 (0.66) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL2195228 0.66 ALOX5 (0.42) MEN1KMT2AHDAC3
SCHEMBL17335810 0.65 DOT1L (0.63) DOT1LNPC1MEN1KMT2APOLB
SCHEMBL29418293 0.64 DOT1L (0.61) DOT1LNPC1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10946014-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor HUTCHISON MEDIPHARMA LIMITED (CN) 2021-03-16 US disclosed
US-20200179377-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2020-06-11 US disclosed
US-20180263977-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2018-09-20 US disclosed
US-9255104-B2 Cyclopropyl modulators of P2Y12 receptor AUSPEX PHARMACEUTICALS, INC. (US) 2016-02-09 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 (3 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-10946014-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor KCNJ11, NISCH, CYP4Z1 DOT1L 2246/4885HDAC1 3480/4885HDAC2 2864/4885
US-20200179377-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 DOT1L 2246/4885HDAC1 3480/4885HDAC2 2864/4885
US-20180263977-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 DOT1L 2246/4885HDAC1 3480/4885HDAC2 2864/4885

“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.