SCHEMBL3683092

SCHEMBL3683092

Clc1ccc2c(N3CCNCC3)nccc2c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.64
▸ ADRB2 P07550 1/20 0.58
▸ NCF1 P14598 1/20 0.58
▸ HTR6 P50406 5/20 0.49
▸ HTR3E A5X5Y0 1/20 0.48
▸ HTR3B O95264 1/20 0.48
▸ HTR3A P46098 1/20 0.48
▸ HTR3D Q70Z44 1/20 0.48
▸ HTR3C Q8WXA8 1/20 0.48
▸ PRKCA P17252 1/20 0.47
▸ PRKCD Q05655 1/20 0.47
▸ PRKD1 Q15139 1/20 0.47
▸ HRH4 Q9H3N8 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ HTR7 P34969 1/20 0.45

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
Hydrochloric Acid SCHEMBL31587078 0.99 HTR2C (0.62) HTR2CADRB2NCF1HTR6HTR3E
SCHEMBL3676460 0.88 HTR2C (0.64) HTR2CADRB2NCF1HTR6HTR3E
SCHEMBL7405998 0.82 HTR2C (0.64) HTR2CHTR6HRH4
SCHEMBL3681254 0.82 HRH4 (0.64) HTR3AHRH4HTR1A
SCHEMBL4023615 0.80 MAT2A (0.47) HTR2CHTR3EHTR3BHTR3AHTR3D
SCHEMBL3686249 0.79 HTR2C (0.59) HTR2CNCF1HTR6HTR3EHTR3B
SCHEMBL3676159 0.79 HTT (0.61) HRH4HTR1A
SCHEMBL30040877 0.78 HTR2C (1.00) HTR2CADRB2NCF1HTR6HTR3E
SCHEMBL2076366 0.78 HTR2C (1.00) HTR2CADRB2NCF1HTR6HTR3E
Hydrochloric Acid SCHEMBL1532881 0.77 HTR2C (0.97) HTR2CADRB2NCF1HTR6HTR3E

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 11 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 claimed
CN-106488910-A Inhibitors of kras g12c 亚瑞克西斯制药公司 2017-03-08 — — CN disclosed
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 HTR2C 14/4885ADRB2 61/4885NCF1 1250/4885

“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.

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