SCHEMBL6490955

SCHEMBL6490955

[c]1nc(-c2ccc3ccccc3n2)c(-c2cnccn2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP4 Q13115 1/20 0.42
PTP4A1 Q93096 1/20 0.42
CYP3A4 P08684 7/20 0.38
RAB9A P51151 7/20 0.38
NPC1 O15118 6/20 0.38
AR P10275 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
METAP2 P50579 1/20 0.36
TP53 P04637 3/20 0.36
MAPT P10636 3/20 0.36
CASP1 P29466 1/20 0.36
TGFBR1 P36897 1/20 0.35
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
ALOX15 P16050 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
MEN1 O00255 3/20 0.32

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
SCHEMBL7018481 0.82 RAB9A (0.39) CYP3A4RAB9ANPC1ARCYP1A2
SCHEMBL14829409 0.77 CYP1A2 (0.44) CYP3A4RAB9ANPC1ARCYP1A2
SCHEMBL5906927 0.77 AR (0.40) CYP3A4RAB9ANPC1ARCYP1A2
SCHEMBL31418349 0.75 RAB9A (0.55) DUSP4PTP4A1CYP3A4RAB9ANPC1
SCHEMBL7135049 0.74 ILK (0.39) RAB9ANPC1TP53MAPTKDM4E
SCHEMBL1404101 0.73 ALDH1A1 (0.59) CYP3A4RAB9ANPC1ARCYP1A2
SCHEMBL4179029 0.73 KDM4E (0.58) CYP3A4RAB9ANPC1CYP1A2CYP2C9
SCHEMBL2418262 0.72 ITK (0.42) RAB9ANPC1ARTP53KDM4E
SCHEMBL7107250 0.70 RECQL (0.40) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6482907 0.70 DUSP4 (0.43) DUSP4PTP4A1CYP3A4RAB9ANPC1

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-20050272745-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB 2005-12-08 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-20050272745-A1 Novel piperidine and piperazine derivatives CYP3A5, IL5, ABCC5 DUSP4 3766/4885PTP4A1 4071/4885CYP3A4 40/4885

“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.