SCHEMBL10172152

SCHEMBL10172152

Clc1cc(Nc2ncccn2)ncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
JAK2 O60674 1/20 0.40
TYK2 P29597 1/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 3/20 0.38
ERBB3 P21860 2/20 0.38
CDC7 O00311 1/20 0.37
DAPK3 O43293 1/20 0.37
MAP4K4 O95819 1/20 0.37
PIM1 P11309 1/20 0.37
PRKACA P17612 1/20 0.37
FLT3 P36888 1/20 0.37
CDK8 P49336 1/20 0.37
CLK2 P49760 1/20 0.37
GSK3B P49841 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 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
SCHEMBL28936188 0.79 MEN1 (0.50) NPC1KMT2AMEN1MKNK1JAK2
SCHEMBL29919717 0.79 MEN1 (0.50) NPC1KMT2AMEN1MKNK1JAK2
SCHEMBL28936138 0.78 NPC1 (0.46) NPC1KMT2AMEN1MKNK1JAK2
SCHEMBL29919765 0.78 NPC1 (0.46) NPC1KMT2AMEN1MKNK1JAK2
SCHEMBL29920007 0.78 CDK5 (0.45) MKNK1JAK2TYK2ABL1EGFR
SCHEMBL28963294 0.78 CDK5 (0.45) MKNK1JAK2TYK2ABL1EGFR
SCHEMBL31247662 0.75 NPC1 (0.48) NPC1KMT2AMEN1MKNK1JAK2
SCHEMBL857502 0.74 NPC1 (0.63) NPC1KMT2AMEN1MKNK1EGFR
Hydrochloric Acid SCHEMBL2176643 0.73 NPC1 (0.61) NPC1KMT2AMEN1MKNK1EGFR
SCHEMBL16926594 0.72 GRM4 (0.54) JAK2TYK2ABL1HTR3AGRM4

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-8367658-B2 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-02-05 US disclosed
US-8367658-B2 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-02-05 US disclosed
US-20120040967-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-02-16 US disclosed
US-20120040967-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-02-16 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 (1 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-20120040967-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CHEK1, CHEK2, PLK1 NPC1 3532/4885KMT2A 497/4885MEN1 2970/4885

“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.