SCHEMBL3683459

SCHEMBL3683459

COc1ccc2ccnc(N3CCN(Cc4ccc(F)cc4)CC3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.57
▸ BACE1 P56817 3/20 0.57
▸ AURKA O14965 1/20 0.57
▸ HTR3E A5X5Y0 3/20 0.56
▸ HTR3B O95264 3/20 0.56
▸ HTR3A P46098 3/20 0.56
▸ HTR3D Q70Z44 3/20 0.56
▸ HTR3C Q8WXA8 3/20 0.56
▸ HTR1A P08908 3/20 0.56
▸ ATM Q13315 1/20 0.50
▸ DRD2 P14416 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ CCR3 P51677 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3678516 0.83 LRRK2 (0.50) DRD2DRD3MAPK1ALDH1A1HTT
SCHEMBL3684028 0.83 HTT (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3684916 0.80 KDM4E (0.59) ACHEBACE1AURKAHTR3EHTR3B
SCHEMBL3680265 0.79 HRH4 (0.61) ACHEBACE1HTR1ADRD2DRD3
SCHEMBL3682723 0.75 HTT (0.64) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL3678007 0.75 NCF1 (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3682468 0.75 HTR1A (0.64) HTR1ADRD2DRD3
SCHEMBL3677859 0.75 HTR2C (0.50) ACHEHTR1A
SCHEMBL17865170 0.74 CCR3 (0.46) CCR3
SCHEMBL27508581 0.74 ACHE (0.69) ACHEBACE1AURKAHTR3EHTR3B

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 9 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
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 ACHE 3260/4885BACE1 3014/4885AURKA 3121/4885

“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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