SCHEMBL3664633

SCHEMBL3664633

CC(=O)NC(C)(C)c1cc(-c2cncc(Br)c2)cc(-c2ccccn2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.37
RXFP1 Q9HBX9 4/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.36
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
KMT2A Q03164 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CYP2A6 P11509 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GPR39 O43194 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
F2 P00734 1/20 0.33
KDR P35968 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL3661014 0.90 NPSR1 (0.33) NPSR1RXFP1ALDH1A1LMNAPTPN7
SCHEMBL3663869 0.84 GRM5 (0.36) NPSR1RXFP1ALDH1A1LMNAPTPN7
SCHEMBL4183866 0.82 CYP2A6 (0.36) NPSR1RXFP1ALDH1A1LMNANPC1
SCHEMBL3667875 0.76 GPR39 (0.37) NPSR1RXFP1ALDH1A1LMNAPTPN7
SCHEMBL3663765 0.73 CCR1 (0.40) NPSR1RXFP1ALDH1A1LMNAPTPN7
SCHEMBL3664991 0.72 MDM2 (0.41) NPSR1RXFP1ALDH1A1LMNAPTPN7
SCHEMBL3661769 0.72 KDM4E (0.37) NPSR1RXFP1ALDH1A1LMNAPTPN7
SCHEMBL3659080 0.72 CYP1A2 (0.45) NPSR1RXFP1ALDH1A1LMNAKMT2A
SCHEMBL3663615 0.70 CCR1 (0.37) NPSR1RXFP1ALDH1A1LMNAPTPN7
SCHEMBL3665505 0.70 ESR1 (0.37) NPSR1RXFP1ALDH1A1LMNAPTPN7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK NPSR1 1779/4885RXFP1 2/4885ALDH1A1 884/4885

“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.