SCHEMBL2327422

SCHEMBL2327422

FC(F)(F)c1nnc2n1CCN(C1=C3C=NC=C[N+]3(Cl)C=N1)C2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.34
P2RY12 Q9H244 1/20 0.33
DPP4 P27487 13/20 0.32
DPP8 Q6V1X1 3/20 0.32
DPP9 Q86TI2 1/20 0.32
BRD4 O60885 1/20 0.31
FAP Q12884 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
Methyl Alcohol SCHEMBL14121558 0.85 HDAC6 (0.35) HDAC6P2RY12DPP4DPP8DPP9
SCHEMBL15904829 0.80 HDAC6 (0.35) HDAC6P2RY12DPP4DPP8DPP9
SCHEMBL15904726 0.77 HDAC6 (0.35) HDAC6P2RY12DPP4DPP8DPP9
SCHEMBL14118115 0.76 HDAC6 (0.35) HDAC6P2RY12DPP4DPP8DPP9
SCHEMBL2325201 0.71
SCHEMBL14985784 0.62 DPP4 (0.43) DPP4DPP8DPP9BRD4FAP
SCHEMBL16427497 0.62 MAOB (0.43) HDAC6P2RY12DPP4DPP8DPP9
SCHEMBL18636557 0.60 DPP4 (0.43) DPP4DPP8DPP9BRD4FAP
SCHEMBL21937623 0.59 DPP4 (0.40) P2RY12DPP4DPP8DPP9BRD4
SCHEMBL31217279 0.59 GRIN2D (0.45) HDAC6P2RY12DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2948431-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-03-13 EP disclosed
EP-2534151-B1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS MERCK SHARP & DOHME (NL) 2018-11-14 EP disclosed
US-9446130-B2 BTK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-09-20 US disclosed
US-20150353565-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 US disclosed
EP-2948431-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-12-02 EP disclosed
WO-2014116504-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
WO-2014113942-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
US-8658794-B2 8-methyl-1-phenyl-imidazol[1,5-a]pyrazine compounds as Lck inhibitors and uses thereof MERCK SHARP & DOHME B.V. (NL) 2014-02-25 US disclosed
EP-2534151-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS MSD Oss B.V. (NL) 2012-12-19 EP disclosed
US-20120309966-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS N.V. ORGANON (NL) 2012-12-06 US disclosed
WO-2011095556-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS N.V. ORGANON (NL) 2011-08-11 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 (2 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-20150353565-A1 BTK INHIBITORS BTK, SYK, LYN HDAC6 513/4885P2RY12 1533/4885DPP4 3176/4885
US-20120309966-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS LCK, ZAP70, FYN HDAC6 457/4885P2RY12 785/4885DPP4 1145/4885

“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.