SCHEMBL13169643

SCHEMBL13169643

Cc1c2c(cc3cccn13)CCC2

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
HRH3 Q9Y5N1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL13169646 0.97 HRH3 (0.32) MAPTHRH3KDM4ERAB9ASMN1; SMN2
SCHEMBL22019728 0.80 ATM (0.31) MAPTKDM4ESMN1; SMN2HTTATM
SCHEMBL24978114 0.79 HRH3 (0.36) MAPTHRH3L3MBTL1HTTATM
SCHEMBL13169644 0.72 MAPT (0.33) MAPTKDM4EALDH1A1
SCHEMBL13169652 0.69 PTPN1 (0.32) KDM4EALDH1A1
SCHEMBL73966 0.66 TSHR (0.39) MAPTHRH3KDM4ERAB9ASMN1; SMN2
SCHEMBL8404412 0.65 ALOX15 (0.39) MAPTKDM4ERAB9ASMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL10916201 0.64 TSHR (0.38) MAPTHRH3KDM4ERAB9ASMN1; SMN2
SCHEMBL13169604 0.62 CYP1A2 (0.39) MAPTHRH3KDM4ERAB9ASMN1; SMN2
SCHEMBL21586529 0.61 MAPT (0.43) MAPTSMN1; SMN2ALDH1A1ATM

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
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-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

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 MAPT 4663/4885HRH3 50/4885KDM4E 4558/4885

“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.