SCHEMBL3678839

SCHEMBL3678839

COc1ccc2c(N3CCN(C)CC3)nccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.61
USP2 O75604 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
MAPK1 P28482 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CYP2C19 P33261 1/20 0.49
HIF1A Q16665 1/20 0.49
DYRK1A Q13627 3/20 0.49
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48

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
SCHEMBL3680265 0.89 HRH4 (0.61) HRH4USP2CYP1A2CYP3A4CYP2D6
SCHEMBL3679025 0.85 LRRK2 (0.47) HRH4MAPK1ALDH1A1LMNADYRK1A
SCHEMBL3686249 0.85 HTR2C (0.59) USP2CYP1A2CYP3A4CYP2D6CLK4
SCHEMBL27111635 0.82 DRD2 (0.49) HRH4DYRK1ATUBB4ATUBBTUBA3C
SCHEMBL4774035 0.82 ACHE (0.60) HRH4USP2CYP1A2CYP3A4CYP2D6
SCHEMBL31502029 0.80 DRD2 (0.52) HRH4DYRK1ADRD2DRD4
SCHEMBL20813811 0.80 DRD2 (0.52) HRH4DYRK1ADRD2DRD4
SCHEMBL3681254 0.80 HRH4 (0.64) HRH4GRM4
SCHEMBL3681976 0.77 HRH4 (0.51) HRH4USP2CYP1A2CYP3A4CYP2D6
SCHEMBL605232 0.76 HRH4 (1.00) HRH4

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
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 HRH4 38/4885USP2 4216/4885CYP1A2 2022/4885

“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.