SCHEMBL5095247

SCHEMBL5095247

c1ccc2c(c1)sc1c(N3CCCNCC3)ncnc12

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.90
HRH4 Q9H3N8 2/20 0.66
PIK3CA P42336 2/20 0.65
KDM4E B2RXH2 3/20 0.50
MAPT P10636 1/20 0.50
PRKCI P41743 2/20 0.47
LIMK1 P53667 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 1/20 0.44
ADORA2A P29274 1/20 0.44
TSHR P16473 2/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL614900 0.95 HTR2C (1.00) HTR2CHRH4PIK3CAKDM4EMAPT
SCHEMBL602499 0.85 HTR2C (0.65) HTR2CHRH4PIK3CAKDM4EPRKCI
SCHEMBL2392391 0.78 PIK3CA (0.73) HTR2CHRH4PIK3CAPRKCILIMK1
SCHEMBL5235576 0.75 PTK2 (0.60) HTR2CHRH4KDM4EMAPTLMNA
SCHEMBL9722339 0.73 KDM4E (0.88) HTR2CKDM4EMAPT
SCHEMBL19805137 0.73 HTR2C (0.62) HTR2CHRH4PIK3CAKDM4EPRKCI
SCHEMBL16922590 0.71 HRH4 (0.59) HTR2CHRH4PIK3CALIMK1CDK5
SCHEMBL605467 0.69 DRD2 (0.64) HTR2CKDM4EPRKCILMNAMAPK1
SCHEMBL29936658 0.68 PTK2 (0.67) HTR2CHRH4KDM4EMAPTLMNA
Benzisothiazole-3-Yl-Piperazine SCHEMBL29432928 0.68 KDM4E (0.97) HTR2CKDM4EMAPT

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-20080269239-A1 Pyrimidine Compounds as Histamine Modulators ARGENTA DISCOVERY LTD. (GB) 2008-10-30 US claimed
EP-1812113-A1 PYRIMIDINE COMPOUNDS AS HISTAMINE MODULATORS Argenta Discovery Limited (GB) 2007-08-01 EP claimed
WO-2006050965-A1 PYRIMIDINE COMPOUNDS AS HISTAMINE MODULATORS ARGENTA DISCOVERY LTD (GB) 2006-05-18 WO claimed

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-20080269239-A1 Pyrimidine Compounds as Histamine Modulators HRH4, HRH3, HRH2 HTR2C 138/4885HRH4 1/4885PIK3CA 732/4885

“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.