SCHEMBL19372

SCHEMBL19372

Nc1nc(C2CCCCC2N)cn2nc(Nc3ccccc3)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.38
JAK3 P52333 3/20 0.38
CDK4 P11802 6/20 0.36
CCND1 P24385 6/20 0.36
CCND2 P30279 4/20 0.36
CCND3 P30281 4/20 0.36
CDK2 P24941 3/20 0.36
CCNA2 P20248 2/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
MEN1 O00255 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
BLM P54132 1/20 0.35
CDK5 Q00535 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
CDK5R1 Q15078 1/20 0.35

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
SCHEMBL20131 0.88 HTT (0.39) JAK2JAK3CDK2FGFR1MEN1
SCHEMBL15207927 0.85 IDH2 (0.46) JAK2JAK3
SCHEMBL19371 0.76 CDK4 (0.41) CDK4CCND1CCND2CCND3CDK2
SCHEMBL15207869 0.69 JAK2 (0.43) JAK2JAK3MEN1KMT2AADORA3
SCHEMBL24474 0.67 SYK (0.47) CDK4CCND3GSK3BCLK4
SCHEMBL20130 0.65 SYK (0.45) JAK2JAK3CDK2CCNA2FGFR1
SCHEMBL20644 0.64 KCNH3 (0.44) JAK2JAK3CDK4CCND1CCND2
SCHEMBL19498 0.64 TNK2 (0.41) JAK2JAK3SRCLRRK2
SCHEMBL15206844 0.64 TNK2 (0.41) JAK2JAK3
SCHEMBL15207702 0.62 SYK (0.41) JAK2JAK3CDK2FGFR1GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609098-B1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-13 EP claimed
EP-2609098-B1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-13 EP disclosed
US-9023851-B2 Triazolopyrazine derivatives MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US disclosed
EP-2609098-A1 TRIAZOLOPYRAZINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP disclosed
WO-2012025186-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 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 (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-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES SYK, IRAK1, ZAP70 JAK2 5/4885JAK3 32/4885CDK4 1132/4885

“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.