SCHEMBL17075698

SCHEMBL17075698

CC(C)(C)C1C(CNc2nc(Br)cnc2N)CCCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.37
LDHB P07195 1/20 0.37
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
PDE10A Q9Y233 1/20 0.33
CSF1R P07333 1/20 0.33
PIK3CB P42338 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
ADORA2A P29274 1/20 0.30
BTK Q06187 1/20 0.30

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
SCHEMBL483368 0.78 LDHA (0.38) LDHALDHBPIM1PIM3PIM2
SCHEMBL14237447 0.75 PIM2 (0.44) PIM1PIM3PIM2PIK3CD
SCHEMBL3825299 0.75 PIM2 (0.44) PIM1PIM3PIM2PIK3CD
SCHEMBL2211261 0.74 LDHA (0.46) LDHALDHBPIM1PIM3PIM2
SCHEMBL376384 0.72 HCRTR2 (0.36) HCRTR1HCRTR2
SCHEMBL3826467 0.72 PIM1 (0.41) PIM1PIM3PIM2PIK3CD
SCHEMBL18035799 0.71 GSK3A (0.45) PIK3CD
SCHEMBL18035801 0.71 GSK3A (0.45) PIK3CD
SCHEMBL482351 0.71 IRAK1 (0.53)
SCHEMBL17075714 0.71 IRAK1 (0.53)

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
EP-3053923-B1 TRIAZOLOPYRAZINE DERIVATIVES AS TYROSIN KINASE INHIBITORS KOREA RES INST CHEMICAL TECH (KR) 2018-04-11 EP disclosed
EP-3053923-A1 NOVEL TRIAZOLOPYRAZINE DERIVATIVE AND USE THEREOF Korea Research Institute of Chemical Technology (KR) 2016-08-10 EP disclosed
US-9403831-B2 Triazolopyrazine derivative and use thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-08-02 US disclosed
US-20150259350-A1 NOVEL TRIAZOLOPYRAZINE DERIVATIVE AND USE THEREOF HANDOK INC. (KR) 2015-09-17 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-20150259350-A1 NOVEL TRIAZOLOPYRAZINE DERIVATIVE AND USE THEREOF MET, RET, BRAF LDHA 4779/4885LDHB 4772/4885PIM1 239/4885

“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.