SCHEMBL2975841

SCHEMBL2975841

c1csc(CN2CCCCC2)c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.70
DRD4 P21917 10/20 0.62
DRD3 P35462 7/20 0.62
DRD2 P14416 5/20 0.57
DRD5 P21918 4/20 0.57
MAPT P10636 2/20 0.55
PKM P14618 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
HSD17B10 Q99714 1/20 0.53
DRD1 P21728 1/20 0.53
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
POLB P06746 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL8168957 1.00 HTT (0.70) HTTDRD4DRD3DRD2DRD5
SCHEMBL7050984 0.98 HTT (0.72) HTTDRD4DRD3DRD2DRD5
SCHEMBL6555514 0.82 HTT (1.00) HTTDRD4DRD3DRD2DRD5
SCHEMBL7654044 0.82 HTT (0.68) HTTDRD4DRD3DRD2DRD5
SCHEMBL28588828 0.82 HTT (0.68) HTTDRD4DRD3DRD2DRD5
SCHEMBL14662685 0.82 HTT (0.68) HTTDRD4DRD3DRD2DRD5
SCHEMBL9279775 0.81 HRH3 (0.54) HTTSMN1; SMN2ALDH1A1SIGMAR1GAA
SCHEMBL11377879 0.81 HTT (0.66) HTTDRD4DRD3DRD2DRD5
SCHEMBL2026093 0.81 HTT (0.66) HTTDRD4DRD3DRD2DRD5
SCHEMBL1037058 0.81 HTT (0.66) HTTDRD4DRD3DRD2DRD5

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4146623-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF Alectos Therapeutics Inc. (CA) 2023-03-15 EP claimed
CN-101031543-A Process for preparing aromatic thiophenyl ketones CIBA SC HOLDING AG (CH) 2007-09-05 CN claimed
US-4772704-A ANTIULCER AGENTS BRISTOL-MYERS COMPANY (US) 1988-09-20 US claimed
EP-2931722-B1 SUBSTITUTED 1H-PYRROLO [2,3-B]PYRIDINE AND 1H-PYRAZOLO [3, 4-B]PYRIDINE DERIVATIVES AS SALT INDUCIBLE KINASE 2 (SIK2) INHIBITORS ARRIEN PHARMACEUTICALS LLC (US) 2020-02-05 EP disclosed
CN-109563092-A It can be used as the 2- phenylimidazole of the active inhibitor of mammal tyrosine kinase ROR1 simultaneously [4,5-B] pyridine -7- amine derivative 坎塞拉有限公司 2019-04-02 CN disclosed
CN-107567445-A It can be used as 2 phenyl 3H imidazos [4,5 B] pyridine derivates of mammal EGFR-TK ROR1 activities inhibitor 坎塞拉有限公司 2018-01-09 CN disclosed
EP-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
CN-101115749-B Aminopyrimidine compounds and methods of use AMGEN INC 2011-06-22 CN disclosed
US-7858785-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US disclosed
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-01-14 US disclosed
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
CN-101031543-A Process for preparing aromatic thiophenyl ketones CIBA SC HOLDING AG (CH) 2007-09-05 CN disclosed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO disclosed
CN-1738801-A Diarylmethylidene piperidine derivatives, their preparation and their use ASTRAZENECA AB (SE) 2006-02-22 CN disclosed
CN-1549816-A N-aroyl cyclic amine derivatives as orexin receptor antagonists ʷ 2004-11-24 CN disclosed
WO-1999031096-A1 PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS SHAMAN PHARMACEUTICALS, INC. (US) 1999-06-24 WO disclosed
US-5610303-A MONOAMIDE OXIDASE INHIBITORS UBE INDUSTRIES, LTD. (JP) 1997-03-11 US disclosed
US-4772704-A ANTIULCER AGENTS BRISTOL-MYERS COMPANY (US) 1988-09-20 US 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 (2 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-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PLK1, TYMP, TK2 HTT 2363/4885DRD4 4387/4885DRD3 4653/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 HTT 2363/4885DRD4 4387/4885DRD3 4653/4885

“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.