SCHEMBL3679992

SCHEMBL3679992

CN1CCN(c2nccc3c(Cl)cccc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.61
KMT2A Q03164 1/20 0.48
HTR3B O95264 3/20 0.48
HTR3A P46098 3/20 0.48
HTR3E A5X5Y0 2/20 0.48
HTR3D Q70Z44 2/20 0.48
HTR3C Q8WXA8 2/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL3677831 0.84 KMT2A (0.50) HRH4KMT2ACYP1A2ALDH1A1LMNA
SCHEMBL3683806 0.82 HTR2C (0.61) KMT2ADRD2DRD3CYP1A2CYP3A4
SCHEMBL14046598 0.81 HRH4 (0.56) HRH4KMT2AHTR3BHTR3AHTR3E
SCHEMBL3676201 0.79 HRH4 (0.58) HRH4KMT2AHTR3BHTR3AHTR3E
SCHEMBL13722300 0.79 HSD11B1 (0.57) HRH4CYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL605232 0.76 HRH4 (1.00) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL6179938 0.76 HRH4 (0.55) HRH4CYP1A2ALDH1A1LMNAMAPK1
SCHEMBL6002186 0.76 DRD2 (0.69) HTR3BHTR3AHTR3EHTR3DHTR3C
SCHEMBL3690249 0.75 HRH4 (0.65) HRH4KMT2AHTR3BHTR3AHTR3E
SCHEMBL3684500 0.72 HRH4 (0.64) HRH4HTR3AHTR1AHTR1DHTR1B

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 12 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
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
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 HRH4 38/4885KMT2A 3783/4885HTR3B 1/4885

“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.