SCHEMBL24431

SCHEMBL24431

Cc1cc(C)cc(Nc2nccn3nc(Nc4ccc5cnn(Cc6ccccc6)c5c4)nc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 17/20 0.48
EGFR P00533 15/20 0.48
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.41
RGS12 O14924 1/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
RAF1 P04049 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL22927 1.00 ERBB2 (0.48) ERBB2EGFRALDH1A1MAPTMEN1
SCHEMBL24110 0.95 ALDH1A1 (0.51) ERBB2EGFRALDH1A1MAPTMEN1
SCHEMBL23474 0.95 ALDH1A1 (0.51) ERBB2EGFRALDH1A1MAPTMEN1
SCHEMBL24535 0.93 ERBB2 (0.47) ERBB2EGFRALDH1A1MAPTMEN1
SCHEMBL23924 0.93 ERBB2 (0.47) ERBB2EGFRALDH1A1MAPTMEN1
SCHEMBL23997 0.90 ERBB2 (0.44) ERBB2EGFRALDH1A1MAPTMEN1
SCHEMBL22734 0.90 ERBB2 (0.44) ERBB2EGFRALDH1A1MAPTMEN1
SCHEMBL24773 0.86 CTSC (0.44) ERBB2EGFR
SCHEMBL23920 0.86 CTSC (0.44) ERBB2EGFR
SCHEMBL19212 0.85 ERBB2 (0.44) ERBB2EGFRALDH1A1MAPTMEN1

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 8 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
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-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 ERBB2 264/4885EGFR 1974/4885ALDH1A1 1497/4885

“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.