SCHEMBL13963079

SCHEMBL13963079

Cc1cc(Nc2ccc(Br)cc2)nc(N)n1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.71
NPC1 O15118 2/20 0.71
CYP1A2 P05177 2/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2C19 P33261 1/20 0.71
MAPT P10636 3/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
CYP2D6 P10635 1/20 0.71
PABPC1 P11940 1/20 0.71
AGPAT2 O15120 7/20 0.65
ROCK2 O75116 2/20 0.61
DNMT1 P26358 1/20 0.61
DNMT3L Q9UJW3 1/20 0.61
DNMT3A Q9Y6K1 1/20 0.61
AMD1 P17707 1/20 0.52
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL2410637 0.88 RAB9A (0.83) RAB9ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL12218261 0.86 RAB9A (0.76) RAB9ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL12218264 0.86 RAB9A (0.76) RAB9ANPC1CYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL4523617 0.85 RAB9A (0.73) RAB9ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL13963083 0.83 RAB9A (0.71) RAB9ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL13963078 0.83 RAB9A (0.71) RAB9ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL14028305 0.83 RAB9A (1.00) RAB9ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL3500070 0.83 CYP1A2 (1.00) RAB9ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL13963108 0.83 CYP1A2 (0.69) RAB9ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL13963092 0.83 RAB9A (0.61) RAB9ANPC1CYP1A2CYP3A4CYP2C19

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 2 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

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 RAB9A 1024/4885NPC1 2993/4885CYP1A2 482/4885

“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.