SCHEMBL3686792

SCHEMBL3686792

CC1CN(c2nc(Cl)cc3sccc23)CCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.41
HTR2C P28335 2/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
KIT P10721 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
BCL2A1 Q16548 2/20 0.36
KHK P50053 2/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
PRKCI P41743 1/20 0.35
HTR6 P50406 2/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35

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
SCHEMBL3678498 0.79 HTR2C (0.67) HTR2CKIT
SCHEMBL3683532 0.71 HDAC2 (0.44) HRH4HTR2CKITMAPK13MAPK12
SCHEMBL3686351 0.71 KIT (0.47) HRH4HTR2CKITMAPK13MAPK12
Hydrochloric Acid SCHEMBL293622 0.69 DRD2 (0.42) HTR2CALDH1A1LMNAHTR1A
SCHEMBL6811858 0.68 MAPT (0.45) KITMAPK13MAPK12MAPK11MAPK14
SCHEMBL2743006 0.67 TRPV1 (0.46) HRH4HTR2CKITMAPK13MAPK12
SCHEMBL3669381 0.66 MEN1 (0.55) HRH4KITMAPK13MAPK12MAPK11
SCHEMBL1102295 0.66 MEN1 (0.55) HRH4KITMAPK13MAPK12MAPK11
SCHEMBL24969699 0.66 HRH4 (0.56) HRH4KITMAPK13MAPK12MAPK11
SCHEMBL31142966 0.66 HRH4 (0.56) HRH4KITMAPK13MAPK12MAPK11

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 4 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 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 38/4885HTR2C 14/4885CSNK2A2 1950/4885

“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.