SCHEMBL4535291

SCHEMBL4535291

Cc1[nH]c(N)nc1-c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.53
HTR7 P34969 5/20 0.53
HTR6 P50406 5/20 0.53
DRD2 P14416 4/20 0.53
DHFR P00374 1/20 0.47
NOS1 P29475 1/20 0.45
BCHE P06276 1/20 0.44
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
XDH P47989 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TYMS P04818 1/20 0.41
RIPK2 O43353 1/20 0.40
PRKD3 O94806 1/20 0.40
ABL1 P00519 1/20 0.40
FYN P06241 1/20 0.40
SRC P12931 1/20 0.40

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
SCHEMBL4539527 0.81 NOS1 (0.41) HTR2AHTR7HTR6DRD2DHFR
SCHEMBL31305448 0.77 NPY5R (0.55) BCHEKDM4EALDH1A1HPGDTSHR
SCHEMBL5125964 0.77 NPY5R (0.55) BCHEKDM4EALDH1A1HPGDTSHR
SCHEMBL3363077 0.74 KMT2A (0.48) BCHEKDM4EALOX15ALDH1A1TSHR
SCHEMBL31468392 0.73 KDM4E (0.47) DHFRBCHEPI4KAPI4K2BPI4K2A
SCHEMBL9229349 0.72 KDM4E (0.45) DHFRBCHEKDM4EALOX15ALDH1A1
SCHEMBL5128328 0.72 NPY5R (0.50) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL31305520 0.72 NPY5R (0.50) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL5748987 0.71 DHFR (0.62) DHFRKDM4EHRH3RIPK2PRKD3
SCHEMBL6385170 0.71 HTR6 (0.55) HTR2AHTR6DRD2DHFRKDM4E

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 HTR2A 4/4885HTR7 12/4885HTR6 13/4885

“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.