SCHEMBL6465009

SCHEMBL6465009

COc1cc(-c2ccc(O)cc2)cc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.50
ABCB1 P08183 4/20 0.50
BCR P11274 4/20 0.50
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
KDR P35968 1/20 0.48
JAK3 P52333 1/20 0.48
AURKB Q96GD4 1/20 0.48
ESR2 Q92731 3/20 0.46
ESR1 P03372 3/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 1/20 0.42

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
SCHEMBL31243788 0.83 SLC2A1 (0.42) NPC1RAB9ADYRK1AALDH1A1MEN1
SCHEMBL6466819 0.79 HRH4 (0.52) DYRK1A
SCHEMBL29214462 0.77 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2DYRK1AALDH1A1
SCHEMBL6466797 0.77 DYRK1A (0.48) PDGFRBPDGFRANPC1RAB9ADYRK1A
SCHEMBL6461239 0.76 PDGFRB (0.48) PDGFRBPDGFRANPC1RAB9AMAPK1
SCHEMBL27439869 0.72 GABRG2 (0.59) NPC1RAB9ATP53CASP3SMN1; SMN2
SCHEMBL7708814 0.72 DYRK1A (0.65) ABL1ABCB1BCRESR2NPC1
SCHEMBL22283952 0.71 HSD17B1 (0.49) ABL1ABCB1BCRESR2ESR1
SCHEMBL29870734 0.71 NOS3 (0.47) NPC1RAB9ASMN1; SMN2DYRK1AALDH1A1
SCHEMBL2901671 0.71 NOS3 (0.47) NPC1RAB9ASMN1; SMN2DYRK1AALDH1A1

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 claimed

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 ABL1 3377/4885ABCB1 3399/4885BCR 3626/4885

“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.