SCHEMBL16750002

SCHEMBL16750002

CC(C)(C#N)Nc1ccc(Br)cn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
ATM Q13315 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FDPS P14324 1/20 0.38
RAB9A P51151 8/20 0.38
NPC1 O15118 8/20 0.37
MAPK1 P28482 2/20 0.37
TP53 P04637 1/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL12883333 0.83 ALDH1A1 (0.46) ALDH1A1ATML3MBTL1FDPSRAB9A
SCHEMBL7902108 0.72 RAB9A (0.44) ALDH1A1ATMFDPSRAB9ANPC1
SCHEMBL7900683 0.72 RAB9A (0.44) ALDH1A1ATMFDPSRAB9ANPC1
SCHEMBL25249405 0.72 POLB (0.46) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL2128298 0.71 MEN1 (0.42) ALDH1A1ATMRAB9ANPC1MEN1
SCHEMBL28602075 0.70 NPC1 (0.50) ALDH1A1ATML3MBTL1FDPSRAB9A
SCHEMBL12932912 0.69 NPC1 (0.49) ALDH1A1ATMFDPSRAB9ANPC1
SCHEMBL1403854 0.69 CHRNA7 (0.44) ALDH1A1KDM4E
SCHEMBL1435912 0.69 NPC1 (0.46) ALDH1A1ATMFDPSRAB9ANPC1
SCHEMBL23768174 0.69 VNN1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376418-B2 Substituted pyridine spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-28 US disclosed
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-05-28 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-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN ALDH1A1 4035/4885ATM 239/4885L3MBTL1 3209/4885

“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.