SCHEMBL13169652

SCHEMBL13169652

Cc1cc2c(c3cccn13)CCCC2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.32
PTPN2 P17706 1/20 0.32
BCL2L1 Q07817 1/20 0.32
BAD Q92934 1/20 0.32
HTR3E A5X5Y0 3/20 0.31
HTR3B O95264 3/20 0.31
HTR3A P46098 3/20 0.31
HTR3D Q70Z44 3/20 0.31
HTR3C Q8WXA8 3/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MYC P01106 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL13169644 0.97 MAPT (0.33) PTPN1PTPN2HTR3EHTR3BHTR3A
SCHEMBL13169646 0.72 HRH3 (0.32) BCL2L1BADTSHRMEN1KMT2A
SCHEMBL13169643 0.69 MAPT (0.33) ALDH1A1KDM4E
SCHEMBL8404415 0.67 KDM4E (0.43) PTPN1PTPN2TSHRALDH1A1KDM4E
SCHEMBL8404406 0.65 PTPN1 (0.39) PTPN1PTPN2HTR3EHTR3BHTR3A
SCHEMBL22019728 0.63 ATM (0.31) KDM4EGAA
SCHEMBL24978114 0.62 HRH3 (0.36)
SCHEMBL2754106 0.62 TSHR (0.39) BCL2L1BADTSHRMEN1KMT2A
SCHEMBL13169606 0.62 PTPN1 (0.42) PTPN1PTPN2TSHRMEN1KMT2A
SCHEMBL19272170 0.61 MEN1 (0.41) BCL2L1BADTSHRMEN1KMT2A

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 PTPN1 2950/4885PTPN2 3205/4885BCL2L1 3138/4885

“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.