SCHEMBL4530624

SCHEMBL4530624

CC(=O)Nc1nc(-c2cccc3ccc(Br)cc23)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.39
CLK1 P49759 2/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
CYP2D6 P10635 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ALPL P05186 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL4524390 0.85 ALOX15 (0.46) ALDH1A1MEN1KMT2AALPLFGFR1
SCHEMBL4519691 0.83 RXFP1 (0.44) CLK1CDK5CDK5R1ALDH1A1MEN1
SCHEMBL1399796 0.80 IDO1 (0.50) DYRK1AALDH1A1MEN1KMT2AMAPT
SCHEMBL13513576 0.77 MTNR1A (0.46) DYRK1ACLK1CDK5CDK5R1ALDH1A1
SCHEMBL24107438 0.76 HSP90AA1 (0.46) ALDH1A1HTTCYP1A2CYP2C19MEN1
SCHEMBL10117774 0.75 ALDH1A1 (0.42) DYRK1AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4539452 0.75 ADRA2A (0.44) DYRK1ARAB9ANPC1KDM4E
SCHEMBL4529132 0.74 CLK1 (0.40) CLK1CDK5CDK5R1ALDH1A1HTT
SCHEMBL4519311 0.74 KDM4E (0.43) ALDH1A1HTTCYP1A2CYP2C9MEN1
SCHEMBL4539798 0.73 ADORA3 (0.47) ALDH1A1CYP2C19MEN1KMT2AMAPT

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 5 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
EP-1648876-A1 5-HT SB 2B /SB RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2006-04-26 EP disclosed
WO-2005012263-A1 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-02-10 WO 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 DYRK1A 962/4885CLK1 3526/4885CDK5 903/4885

“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.