SCHEMBL6466797

SCHEMBL6466797

COc1cc(-c2ccc(Cl)c(Cl)c2)cc(N)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.48
AHR P35869 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
CYP1B1 Q16678 1/20 0.44
KMO O15229 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.41
RCE1 Q9Y256 1/20 0.41
CDK9 P50750 1/20 0.41
DHFR P00374 1/20 0.40
IKBKB O14920 2/20 0.39
ADORA2B P29275 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F2RL3 Q96RI0 1/20 0.38
ADORA2A P29274 1/20 0.37

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
SCHEMBL7427550 0.82 AHR (0.61) DYRK1AAHRNPC1RAB9ACYP1B1
SCHEMBL31243788 0.77 SLC2A1 (0.42) DYRK1ANPC1RAB9AALDH1A1MAPT
SCHEMBL6465009 0.77 ABL1 (0.50) DYRK1ANPC1RAB9APDGFRBPDGFRA
SCHEMBL6466819 0.73 HRH4 (0.52) DYRK1ACYP1B1L3MBTL1F2RL3ADORA1
SCHEMBL27439869 0.73 GABRG2 (0.59) NPC1RAB9AKDM4EIKBKBALDH1A1
SCHEMBL17923121 0.71 HSP90AA1 (0.39) DYRK1ANPC1RAB9AKDM4EADORA2B
SCHEMBL30839853 0.71 HSP90AA1 (0.39) DYRK1ANPC1RAB9AKDM4EADORA2B
SCHEMBL6461239 0.71 PDGFRB (0.48) NPC1RAB9APDGFRBPDGFRAALDH1A1
SCHEMBL11834614 0.69 ALDH1A1 (0.46) DYRK1ANPC1RAB9AKDM4EADORA2B
SCHEMBL13068145 0.68 ALDH1A1 (0.41) DYRK1ANPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182105-A1 Method of using 3-cyano-4-arylpyridine derivatives as modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2005-08-18 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-20050182105-A1 Method of using 3-cyano-4-arylpyridine derivatives as modulators of androgen receptor function NR3C2, NR4A3, NR3C1 DYRK1A 1415/4885AHR 43/4885NPC1 2176/4885

“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.