SCHEMBL3688922

SCHEMBL3688922

CCN1CCN(c2nccc3cccnc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HRH4 Q9H3N8 2/20 0.47
HRH3 Q9Y5N1 1/20 0.46
CNR2 P34972 2/20 0.44
CHRNA7 P36544 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
ADORA2A P29274 1/20 0.43
HSP90AA1 P07900 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL3688963 0.83 HRH4 (0.67) L3MBTL1HRH4
SCHEMBL4770241 0.82 SMN1; SMN2 (0.46) ACKR3SMN1; SMN2KMT2ACYP1A2CYP2C19
SCHEMBL3683535 0.82 HRH4 (0.70) SMN1; SMN2KMT2ACYP1A2CYP2C19L3MBTL1
SCHEMBL30822012 0.79 CYP1A2 (0.53) ACKR3SMN1; SMN2KMT2ACYP1A2CYP2C19
SCHEMBL12668915 0.78 DRD4 (0.54) SMN1; SMN2KMT2ACYP1A2CYP2C19L3MBTL1
SCHEMBL3682685 0.78 SMN1; SMN2 (0.56) SMN1; SMN2KMT2ACYP1A2CYP2C19L3MBTL1
SCHEMBL3680133 0.76 HTR2C (0.67)
Hydrochloric Acid SCHEMBL8597079 0.75 HTR2C (0.65)
SCHEMBL3544960 0.75 SMN1; SMN2 (0.44) SMN1; SMN2KMT2ACYP1A2CYP2C19L3MBTL1
SCHEMBL12670251 0.75 DRD2 (0.64) MAPT

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 8 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-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 ACKR3 130/4885SMN1; SMN2 1018/4885KMT2A 3783/4885

“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.