SCHEMBL18859

SCHEMBL18859

Cc1cccc(Nc2nc3c(N)ncc(CCCN4CCOCC4)n3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
TP53 P04637 2/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EGFR P00533 5/20 0.46
TNK2 Q07912 1/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 2/20 0.43
GBA1 P04062 1/20 0.42
CHEK1 O14757 1/20 0.42
BTK Q06187 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
USP2 O75604 1/20 0.41
KDR P35968 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
SCHEMBL19190 0.91 MAPT (0.44) MAPTPOLBALDH1A1SMN1; SMN2EGFR
SCHEMBL21245 0.89 MEN1 (0.50) MAPTPOLBALDH1A1TNK2LMNA
SCHEMBL19973 0.87 USP2 (0.47) MAPTPOLBSMN1; SMN2EGFRLMNA
SCHEMBL21783 0.82 AURKA (0.43) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL19883 0.82 TP53 (0.42) MAPTTP53SMN1; SMN2NPC1LMNA
SCHEMBL20001 0.82 TNK2 (0.41) MAPTTP53POLBSMN1; SMN2EGFR
SCHEMBL15206842 0.81 TNK2 (0.47) MAPTALDH1A1SMN1; SMN2EGFRTNK2
SCHEMBL18860 0.80 MAPT (0.45) MAPTTP53POLBALDH1A1SMN1; SMN2
SCHEMBL17908147 0.79 IDH2 (0.46) MAPTSMN1; SMN2EGFRLMNAUSP2
SCHEMBL4113513 0.73 CDK1 (0.47) MAPTALDH1A1SMN1; SMN2EGFRTNK2

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.