SCHEMBL3667875

SCHEMBL3667875

CC(C)(C)Nc1cc(-c2cncc(Br)c2)cc(-c2ccccn2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR39 O43194 3/20 0.37
RAB9A P51151 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GRM5 P41594 2/20 0.35
LMNA P02545 3/20 0.35
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
CCR1 P32246 3/20 0.35
CCR5 P51681 3/20 0.35
CCR8 P51685 3/20 0.35
CYP2A6 P11509 2/20 0.35
PLK1 P53350 1/20 0.34
NPC1 O15118 2/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 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
SCHEMBL3659080 0.84 CYP1A2 (0.45) GPR39RAB9AKMT2ANPSR1RXFP1
SCHEMBL3664857 0.84 CYP2A6 (0.38) RAB9AKMT2AGRM5CCR1CCR8
SCHEMBL3661769 0.84 KDM4E (0.37) GPR39RAB9AKMT2ANPSR1RXFP1
SCHEMBL3666866 0.81 ADORA3 (0.45) RAB9AKMT2AMEN1NPSR1GRM5
SCHEMBL3665002 0.81 GPR39 (0.47) GPR39
SCHEMBL4183866 0.80 CYP2A6 (0.36) GPR39RAB9ANPSR1RXFP1ALDH1A1
SCHEMBL3663869 0.80 GRM5 (0.36) GPR39RAB9ANPSR1RXFP1ALDH1A1
SCHEMBL3664081 0.80 GPR39 (0.49) GPR39KMT2AMEN1ALDH1A1NPC1
SCHEMBL3664859 0.79 GPR39 (0.51) GPR39KMT2ANPSR1ALDH1A1LMNA
SCHEMBL3663909 0.79 GPR39 (0.54) GPR39KMT2ANPSR1ALDH1A1LMNA

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 GPR39 222/4885RAB9A 149/4885KMT2A 3277/4885

“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.