SCHEMBL3688205

SCHEMBL3688205

c1cnc2cc(N3CCNCC3)sc2c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.46
▸ PLD1 Q13393 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ ADRB2 P07550 1/20 0.43
▸ NCF1 P14598 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ HTR7 P34969 2/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ EPHX2 P34913 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
SCHEMBL6434500 0.74 HTR3E (0.49) HTR2CKDM4EALDH1A1NCF1HTR2A
Hydrochloric Acid SCHEMBL8687274 0.73 HTR3E (0.47) HTR2CKDM4EALDH1A1NCF1HTR2A
Hydrochloric Acid SCHEMBL31240214 0.73 HTR3E (0.47) HTR2CKDM4EALDH1A1NCF1HTR2A
SCHEMBL26683185 0.71 PBRM1 (0.56) HTR2CKDM4EHTR7
SCHEMBL8096748 0.70 HRH3 (0.60) HTR2CPLD1KDM4EALDH1A1HTR2A
SCHEMBL26683281 0.70 BPTF (0.44) HTR2CKDM4EALDH1A1ADRB2NCF1
SCHEMBL13116806 0.69 ILK (0.58) HTR2CKDM4EALDH1A1HTR7HTR1A
SCHEMBL2418717 0.68 HTR3E (0.61) HTR2CPLD1KDM4EALDH1A1HTR2A
SCHEMBL28244687 0.68 CHRNB2 (0.59) PLD1KDM4EALDH1A1ADRB2NCF1
SCHEMBL2418027 0.68 HTR3E (0.61) HTR2CPLD1KDM4EALDH1A1ADRB2

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 6 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
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-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 HTR2C 14/4885PLD1 3564/4885KDM4E 4558/4885

“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.

Send feedback