SCHEMBL4535151

SCHEMBL4535151

Cc1cc(Nc2cccc(-c3cccnc3)c2)nc(N)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.59
CYP2D6 P10635 1/20 0.59
MEN1 O00255 2/20 0.53
KMT2A Q03164 1/20 0.53
FLT3 P36888 1/20 0.51
RAB9A P51151 2/20 0.50
ROCK2 O75116 2/20 0.50
NPC1 O15118 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 1/20 0.48
PSIP1 O75475 1/20 0.47
AXL P30530 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
ABL1 P00519 2/20 0.45
BCR P11274 2/20 0.45
EGFR P00533 1/20 0.45
SRC P12931 1/20 0.45
PRKACA P17612 1/20 0.45

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
SCHEMBL13963121 0.85 CYP1A2 (0.77) CYP1A2CYP2D6MEN1KMT2ARAB9A
SCHEMBL13963127 0.84 CYP1A2 (0.66) CYP1A2CYP2D6MEN1KMT2ARAB9A
SCHEMBL13963130 0.82 CYP1A2 (0.62) CYP1A2CYP2D6RAB9AROCK2NPC1
SCHEMBL13963133 0.79 CYP1A2 (0.58) CYP1A2CYP2D6RAB9ANPC1CYP3A4
SCHEMBL13963131 0.79 CYP1A2 (0.58) CYP1A2CYP2D6RAB9AROCK2NPC1
SCHEMBL20355745 0.78 CYP1A2 (0.73) CYP1A2CYP2D6RAB9AROCK2NPC1
SCHEMBL13963124 0.78 CYP1A2 (0.57) CYP1A2CYP2D6KMT2ARAB9AROCK2
Hydrochloric Acid SCHEMBL4533038 0.78 CYP1A2 (0.57) CYP1A2CYP2D6RAB9ANPC1CYP3A4
SCHEMBL13963126 0.78 CYP1A2 (0.57) CYP1A2CYP2D6RAB9ANPC1CYP3A4
SCHEMBL13963135 0.77 CYP1A2 (0.56) CYP1A2CYP2D6RAB9AROCK2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B CYP1A2 482/4885CYP2D6 520/4885MEN1 3047/4885

“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.