SCHEMBL3683532

SCHEMBL3683532

CC1CN(c2nccc3ccsc23)CCN1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.44
KIT P10721 1/20 0.44
MALT1 Q9UDY8 1/20 0.40
HTR2C P28335 2/20 0.40
ROCK2 O75116 1/20 0.40
PRKCQ Q04759 3/20 0.39
PRKCD Q05655 1/20 0.39
PRKCI P41743 1/20 0.39
HRH4 Q9H3N8 2/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
HTR6 P50406 1/20 0.36

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
SCHEMBL613412 0.80 HTR2C (0.60) HDAC2HTR2CHTR6
Hydrochloric Acid SCHEMBL322558 0.79 HTR2C (0.58) HDAC2HTR2C
SCHEMBL3678498 0.79 HTR2C (0.67) KITHTR2C
SCHEMBL3686351 0.76 KIT (0.47) KITHTR2CROCK2PRKCQPRKCD
SCHEMBL3679802 0.76 HRH4 (0.56) HDAC2MALT1HTR2CHRH4
SCHEMBL6281370 0.76 HTR2C (0.65) KITHTR2CPRKCQPRKCDHRH4
SCHEMBL6271843 0.76 HTR2C (0.65) KITHTR2CPRKCQPRKCDHRH4
SCHEMBL20140658 0.75 ROCK2 (0.50) KITROCK2PRKCQPRKCDPRKCI
SCHEMBL20157192 0.75 KIT (0.42) KITHTR2CROCK2PRKCQPRKCD
SCHEMBL3683893 0.75 HTR2C (0.47) KITHTR2CROCK2PRKCQPRKCD

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 HDAC2 3179/4885KIT 440/4885MALT1 3972/4885

“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.