SCHEMBL3684672

SCHEMBL3684672

c1cnc2c(N3CCN4CCC[C@H]4C3)nccc2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
MAP4K4 O95819 1/20 0.46
LMNA P02545 1/20 0.45
HRH4 Q9H3N8 4/20 0.43
HTR1A P08908 2/20 0.42
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ACKR3 P25106 2/20 0.40
CXCR4 P61073 2/20 0.40
ALDH1A1 P00352 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
SCHEMBL3681601 0.82 HRH3 (0.55) HRH3MAP4K4LMNAHRH4MAPK13
SCHEMBL3683639 0.78 HRH4 (0.47) HRH3MAP4K4LMNAHRH4MAPK13
SCHEMBL3685093 0.78 HRH4 (0.47) HRH3MAP4K4LMNAHRH4MAPK13
SCHEMBL3676507 0.77 LMNA (0.44) HRH3MAP4K4LMNAHRH4MAPK13
SCHEMBL3675558 0.77 LMNA (0.44) HRH3MAP4K4LMNAHRH4MAPK13
SCHEMBL19035631 0.75 DRD2 (0.52) HRH3MAP4K4HRH4HTR1A
SCHEMBL13170086 0.75 HRH4 (0.43) HRH3MAP4K4LMNAHRH4HTR1A
SCHEMBL3686354 0.75 HRH4 (0.58) HRH3MAP4K4LMNAHRH4HTR1A
SCHEMBL3681598 0.75 HRH4 (0.58) HRH3MAP4K4LMNAHRH4HTR1A
SCHEMBL3680126 0.74 HRH3 (0.45) HRH3MAP4K4LMNAHRH4MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US claimed
EP-1724267-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2013-11-06 EP disclosed
EP-1724267-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2013-11-06 EP disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
EP-1724267-A1 PYRIMIDINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2006-11-22 EP 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-20070197551-A1 Pyrimidine derivatives HTR3B, HTR3A, HTR1A HRH3 50/4885MAP4K4 2651/4885LMNA 3615/4885

“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.