SCHEMBL3675558

SCHEMBL3675558

c1cc2ccsc2c(N2CCN3CCC[C@@H]3C2)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
HRH4 Q9H3N8 6/20 0.42
MAP4K4 O95819 1/20 0.41
HDAC2 Q92769 2/20 0.41
HRH3 Q9Y5N1 3/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL3676507 1.00 LMNA (0.44) LMNAHRH4MAP4K4HDAC2HRH3
SCHEMBL3678833 0.96 HRH3 (0.44) LMNAHRH4MAP4K4HDAC2HRH3
SCHEMBL3680336 0.81 HDAC2 (0.44) HRH4HDAC2MALT1
SCHEMBL3675198 0.80 HTR2C (0.53) LMNAHRH4
SCHEMBL3681724 0.80 HTR2C (0.53) LMNAHRH4
SCHEMBL3684672 0.77 HRH3 (0.47) LMNAHRH4MAP4K4HRH3MAPK13
SCHEMBL3686270 0.77 HTR2C (0.52) HRH3
SCHEMBL31377716 0.77 MALT1 (0.45) MAP4K4HDAC2HRH3MALT1HTR6
SCHEMBL3683639 0.76 HRH4 (0.47) LMNAHRH4MAP4K4HRH3MAPK13
SCHEMBL3685093 0.76 HRH4 (0.47) LMNAHRH4MAP4K4HRH3MAPK13

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 9 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
CN-1922171-B Pyrimidine derivative ASKA PHARM CO LTD 2012-10-17 CN 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
CN-1922171-A Pyrimidine derivatives ASKA PHARM CO LTD (JP) 2007-02-28 CN 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 LMNA 3615/4885HRH4 38/4885MAP4K4 2651/4885

“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.