SCHEMBL18860

SCHEMBL18860

Cc1cccc(Nc2nc3c(N)nc(CCCN4CCOCC4)cn3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
TP53 P04637 2/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EGFR P00533 5/20 0.44
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GBA1 P04062 1/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
RECQL P46063 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL19191 0.91 NOS3 (0.44) MAPTPOLBEGFRHTTL3MBTL1
SCHEMBL21246 0.89 MEN1 (0.48) MAPTPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL19974 0.87 KCNH2 (0.47) POLBSMN1; SMN2EGFRLMNAGSK3A
SCHEMBL21784 0.82 SLC2A1 (0.42) MAPTTP53POLBSMN1; SMN2EGFR
SCHEMBL20002 0.81 SLC2A1 (0.39) MAPTTP53SMN1; SMN2EGFRLMNA
SCHEMBL19884 0.81 MAPT (0.41) MAPTTP53ALDH1A1SMN1; SMN2TSHR
SCHEMBL15206844 0.80 TNK2 (0.41) MAPTSMN1; SMN2EGFRHTT
SCHEMBL18859 0.80 MAPT (0.47) MAPTTP53POLBALDH1A1SMN1; SMN2
SCHEMBL17908148 0.79 CTSK (0.46) MAPTSMN1; SMN2EGFR
SCHEMBL23085 0.74 EGFR (0.53) MAPTTP53POLBALDH1A1EGFR

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 MAPT 4687/4885TP53 482/4885POLB 4209/4885

“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.