SCHEMBL3661769

SCHEMBL3661769

[2H]C([2H])([2H])Nc1cc(-c2cncc(Br)c2)cc(-c2ccccn2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
GPR39 O43194 8/20 0.36
GRM5 P41594 2/20 0.35
CYP2A6 P11509 3/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 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 0.86 CYP1A2 (0.45) GPR39GRM5CYP2A6CCR1CCR5
SCHEMBL3667875 0.84 GPR39 (0.37) KDM4EGPR39GRM5CYP2A6CCR1
SCHEMBL3716550 0.81 ACVR1B (0.42) GPR39
SCHEMBL3665002 0.81 GPR39 (0.47) GPR39
SCHEMBL3664081 0.80 GPR39 (0.49) GPR39ALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL3664859 0.79 GPR39 (0.51) KDM4EGPR39NPSR1ALDH1A1SMN1; SMN2
SCHEMBL3663909 0.79 GPR39 (0.54) KDM4EGPR39NPSR1ALDH1A1SMN1; SMN2
SCHEMBL3663049 0.78 GPR39 (0.44) KDM4EGPR39GRM5CYP2A6CCR1
SCHEMBL3662536 0.78 GPR39 (0.55) GPR39
SCHEMBL3663765 0.78 CCR1 (0.40) KDM4EGRM5CYP2A6CCR1CCR5

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 KDM4E 2074/4885GPR39 222/4885GRM5 4235/4885

“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.