SCHEMBL24602

SCHEMBL24602

CN1CCN(CCCNc2nccn3nc(Nc4ccccc4)nc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.46
TNK2 Q07912 2/20 0.44
JAK2 O60674 12/20 0.44
JAK3 P52333 10/20 0.44
PTK2 Q05397 10/20 0.44
FGFR1 P11362 1/20 0.43
KDR P35968 1/20 0.43
JAK1 P23458 2/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
UBE2N P61088 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CFTR P13569 1/20 0.41
EGFR P00533 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
SCHEMBL24033 0.90 EGFR (0.51) JAK2JAK3PTK2KDRJAK1
SCHEMBL23505 0.89 KMT2A (0.53) RAD52TNK2JAK2JAK3PTK2
SCHEMBL24256 0.87 EGFR (0.42) RAD52JAK2JAK3PTK2FGFR1
SCHEMBL24074 0.86 JAK2 (0.48) JAK2JAK3PTK2KDREGFR
SCHEMBL24403 0.85 JAK2 (0.44) JAK2JAK3PTK2FGFR1KDR
SCHEMBL23499 0.81 KCNH3 (0.55) JAK2JAK3PTK2
SCHEMBL23403 0.81 TNK2 (0.44) RAD52TNK2JAK2JAK3PTK2
SCHEMBL23085 0.81 EGFR (0.53) TNK2JAK2JAK3PTK2JAK1
SCHEMBL25084 0.80 JAK2 (0.44) JAK2JAK3PTK2
SCHEMBL23523 0.78 LMNA (0.48) JAK2JAK3PTK2JAK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023851-B2 Triazolopyrazine derivatives MERCK PATENT GMBH (DE) 2015-05-05 US claimed
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US claimed
US-9023851-B2 Triazolopyrazine derivatives MERCK PATENT GMBH (DE) 2015-05-05 US 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
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US 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 RAD52 2959/4885TNK2 539/4885JAK2 5/4885

“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.