SCHEMBL1750195

SCHEMBL1750195

CS(=O)(=O)c1ccnc(S(C)(=O)=O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
IDH1 O75874 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
HTT P42858 4/20 0.32
TP53 P04637 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
HSD17B10 Q99714 3/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 2/20 0.32
MAPK1 P28482 2/20 0.32
TLR9 Q9NR96 2/20 0.32
XBP1 P17861 1/20 0.32

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
SCHEMBL28686868 0.78 GRM4 (0.35) LMNAIDH1ALOX5APFEN1DYRK1B
SCHEMBL4138614 0.78 NPSR1 (0.42) PARP1LMNASMN1; SMN2HTTTP53
SCHEMBL30637352 0.78 NPSR1 (0.42) PARP1LMNASMN1; SMN2HTTTP53
SCHEMBL3599059 0.78 LOX (0.35) LMNAIDH1ALOX5APFEN1HTT
SCHEMBL2018052 0.77 IDH1 (0.38) LMNAIDH1POLBLOXKDM4E
SCHEMBL22471636 0.77 PARP1 (0.37) PARP1LMNASMN1; SMN2DYRK1ADYRK2
SCHEMBL13074743 0.77 PARP1 (0.37) PARP1LMNASMN1; SMN2DYRK1ADYRK2
SCHEMBL20606050 0.77 LMNA (0.39) PARP1LMNASMN1; SMN2DYRK1ADYRK2
SCHEMBL3929459 0.77 PARP1 (0.37) PARP1LMNASMN1; SMN2DYRK1ADYRK2
SCHEMBL1490042 0.77 MTOR (0.37) PARP1LMNASMN1; SMN2ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-209326137-U Cooling device is used in 4,6- of one kind dimethoxy-dimesyl pyrimidine preparation 江西聚合医药科技有限公司 2019-08-30 CN claimed
US-7968553-B2 e.g. N-(4-fluorobenzyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide; viricide in combination with other HIV/AIDS antivirals, immunomodulators, antibiotics or vaccines; AIDS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-06-28 US disclosed
EP-1578748-B1 TETRAHYDRO-4H-PYRIDO[1,2-A]PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2010-09-15 EP disclosed
US-7414045-B2 Substituted pyrimido[1,2-a]azepines useful as HIV integrase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-08-19 US disclosed
US-7405221-B2 Substituted pyrimidines MERCK & CO., INC. (US) 2008-07-29 US disclosed
US-20080176869-A1 Tetrahydro-4H-pyrido[1,2-a] pyrimidines useful as HIV integrase inhibitors MSD ITALIA S.R.L. (IT) 2008-07-24 US disclosed
US-7291645-B2 Phenylalanine derivatives as alpha 4 integrin inhibitors ELAN PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
EP-1694678-A2 PROCESS FOR PREPARING HEXAHYDROPYRIMIDO 1,2-A¨AZEPINE-2-CARBOXYLATES AND RELATED COMPOUNDS Merck & Co., Inc. (US) 2006-08-30 EP disclosed
US-7015216-B2 Heteroaryl-β-alanine derivatives as alpha 4 integrin inhibitors ELAN PHARMACEUTICALS, INC. (US) 2006-03-21 US disclosed
US-20060046985-A1 Tetrahydro--4h-pyrido[1,2-a}pyrimidines and related compounds useful as hiv integrase inhibitors MSD ITALIA S.R.L. (IT) 2006-03-02 US disclosed
US-5270454-A Reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1993-12-14 US disclosed
US-5023326-A Monoazo, naphthol, aniline and triazine red dyes; colorfastness; cotton CIBA-GEIGY CORPORATION (US) 1991-06-11 US disclosed
US-4917705-A Process for dyeing or printing of fibre material from natural or synthetic polyamides with reactive disazo dyes CIBA-GEIGY CORP. (US) 1990-04-17 US disclosed
US-4877413-A Process for the end-to-end dyeing of cellulosic fibres CIBA-GEIGY CORPORATION (US) 1989-10-31 US disclosed
US-4828572-A MONOAZO DYES CIBA-GEIGY CORPORATION (US) 1989-05-09 US disclosed
US-4693727-A Process for dyeing synthetic polyamide materials with fibre-reactive anthraquinone dyes CIBA-GEIGY CORPORATION (US) 1987-09-15 US disclosed
US-4659333-A Process for fixing dyes and prints with hot steam containing air CIBA-GEIGY CORPORATION (US) 1987-04-21 US disclosed
US-4652269-A Process for the continuous trichromatic dyeing of synthetic polyamide materials: including a blue anthraquinone reactive dye CIBA-GEIGY CORPORATION (US) 1987-03-24 US disclosed
US-4647285-A Process for printing cellulosic fibres with reactive dye and C3-18 aliphatic carboxylate salt fixing agent CIBA-GEIGY CORPORATION (US) 1987-03-03 US disclosed
US-4588411-A Long-shelflife print containing reactive dye and alkali acetate pastes and their use CIBA-GEIGY CORPORATION (US) 1986-05-13 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-20060046985-A1 Tetrahydro--4h-pyrido[1,2-a}pyrimidines and related compounds useful as hiv integrase inhibitors TYMS, TYMP, HPRT1 PARP1 250/4885LMNA 3967/4885SMN1; SMN2 2355/4885
US-20080176869-A1 Tetrahydro-4H-pyrido[1,2-a] pyrimidines useful as HIV integrase inhibitors TYMS, TYMP, DPYD PARP1 257/4885LMNA 4114/4885SMN1; SMN2 2224/4885

“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.