SCHEMBL799198

SCHEMBL799198

CC(=O)Nc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 12/20 0.59
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP2C9 P11712 1/20 0.57
FSCN1 Q16658 1/20 0.57
PDPK1 O15530 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.55
HTT P42858 2/20 0.55
PIK3CG P48736 3/20 0.54
PIK3CA P42336 3/20 0.54
PIK3CB P42338 1/20 0.54
PI4KB Q9UBF8 1/20 0.54
ADORA1 P30542 1/20 0.52
LDHA P00338 1/20 0.50
STAT1 P42224 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL3712492 0.90 DYRK1A (0.49) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL18230246 0.90 DYRK1A (0.59) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL1785384 0.88 LCK (0.50) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL22208374 0.87 KMT2A (0.58) NPC1RAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL22208376 0.86 CASP3 (0.59) DYRK1ANPC1RAB9ACYP2C19SMN1; SMN2
SCHEMBL6067821 0.85 ABL1 (0.58) NPC1RAB9ASMN1; SMN2PIK3CGPIK3CA
SCHEMBL12750084 0.84 DYRK1A (0.52) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL18644630 0.84 LCK (0.53) NPC1RAB9ASMN1; SMN2
SCHEMBL29267539 0.84 CSNK1D (0.60) NPC1RAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL20887542 0.83 ABL1 (0.60)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421226-B2 Heteroaryl compounds as necrosis inhibitors, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2025-09-23 US disclosed
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2024-12-19 US disclosed
WO-2024140971-A1 BICYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 广州市联瑞制药有限公司 2024-07-04 WO disclosed
WO-2024140970-A1 BICYCLIC COMPOUND, AND PREPARATION METHOD AND USE THEREFOR 广州市联瑞制药有限公司 2024-07-04 WO disclosed
CN-113330001-B 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2024-07-02 CN disclosed
US-20240182460-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PETRA PHARMA CORPORATION 2024-06-06 US disclosed
EP-3487498-B1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND APPLICATION THEREOF ZHANG XIAOHU (CN) 2023-09-06 EP disclosed
EP-3487498-B1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND APPLICATION THEREOF ZHANG XIAOHU (CN) 2023-09-06 EP disclosed
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-08-01 US disclosed
US-20230044255-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2023-02-09 US disclosed
US-7517889-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US disclosed
WO-2009017822-A2 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-02-05 WO disclosed
WO-2009017822-A2 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-02-05 WO disclosed
EP-1891019-A2 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2008-02-27 EP disclosed
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
US-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-10-18 US disclosed
WO-2006044732-A2 2, 6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 WO 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 (8 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-12421226-B2 Heteroaryl compounds as necrosis inhibitors, composition and method using the same TNF, LITAF, PNLIP DYRK1A 4546/4885NPC1 122/4885RAB9A 2203/4885
US-20090054405-A1 PI3 kinase modulators and methods of use PIK3CA, PIK3C2A, PIK3C2B DYRK1A 841/4885NPC1 2720/4885RAB9A 971/4885
US-20230044255-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 DYRK1A 4230/4885NPC1 6/4885RAB9A 1157/4885
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 DYRK1A 4230/4885NPC1 6/4885RAB9A 1157/4885
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same VAPA, VAPB, SLC10A1 DYRK1A 4230/4885NPC1 6/4885RAB9A 1157/4885
US-20240182460-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 DYRK1A 895/4885NPC1 1551/4885RAB9A 725/4885
US-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS CYSLTR2, PTGER2, CYSLTR1 DYRK1A 2068/4885NPC1 2210/4885RAB9A 2021/4885
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS CYSLTR2, PTGER2, CYSLTR1 DYRK1A 2068/4885NPC1 2210/4885RAB9A 2021/4885

“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.