SCHEMBL5652459

SCHEMBL5652459

CN1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.76
LMNA P02545 7/20 0.76
GAA P10253 5/20 0.74
SMN1; SMN2 Q16637 3/20 0.68
KMT2A Q03164 3/20 0.68
MAPT P10636 2/20 0.68
MEN1 O00255 2/20 0.68
SIRT6 Q8N6T7 1/20 0.55
WDR5 P61964 2/20 0.54
HTT P42858 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
POLB P06746 1/20 0.52
VCAM1 P19320 1/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL15244164 0.88 ALDH1A1 (0.63) ALDH1A1LMNAGAASMN1; SMN2KMT2A
SCHEMBL5794653 0.85 ALDH1A1 (0.97) ALDH1A1LMNAGAASMN1; SMN2KMT2A
SCHEMBL15321459 0.85 ALDH1A1 (0.71) ALDH1A1LMNAGAASMN1; SMN2KMT2A
SCHEMBL15320591 0.84 ALDH1A1 (0.69) ALDH1A1LMNAGAASMN1; SMN2KMT2A
SCHEMBL6052258 0.83 ALDH1A1 (0.76) ALDH1A1LMNAGAASMN1; SMN2KMT2A
SCHEMBL3656638 0.83 ALDH1A1 (0.76) ALDH1A1LMNAGAASMN1; SMN2KMT2A
SCHEMBL2848571 0.83 ALDH1A1 (0.76) ALDH1A1LMNAGAASMN1; SMN2KMT2A
SCHEMBL1971542 0.82 ALDH1A1 (0.57) ALDH1A1LMNAGAASMN1; SMN2KMT2A
SCHEMBL6829341 0.81 ALDH1A1 (0.54) ALDH1A1LMNAGAASMN1; SMN2KMT2A
SCHEMBL3313887 0.81 GAA (0.72) ALDH1A1LMNAGAASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
CN-114901659-A Fused pyrimidinone compounds as JAK inhibitors 施万生物制药研发IP有限责任公司 2022-08-12 CN disclosed
EP-3891152-A1 TYROSINE KINASE INHIBITORS, COMPOSITIONS AND METHODS THERE OF Betta Pharmaceuticals Co., Ltd (CN) 2021-10-13 EP disclosed
US-20210188844-A1 FUSED PYRIMIDINE PYRIDINONE COMPOUNDS AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-06-24 US disclosed
US-20210188844-A1 FUSED PYRIMIDINE PYRIDINONE COMPOUNDS AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-06-24 US disclosed
WO-2021108803-A1 FUSED PYRIMIDINE PYRIDINONE COMPOUNDS AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-06-03 WO disclosed
WO-2020114499-A1 TYROSINE KINASE INHIBITORS, COMPOSITIONS AND METHODS THERE OF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-06-11 WO disclosed
US-10005777-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-10005777-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
EP-2833889-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF Rigel Pharmaceuticals, Inc. (US) 2015-02-11 EP disclosed
US-20130331374-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2013-12-12 US disclosed
WO-2013152198-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2013-10-10 WO disclosed
WO-2013152198-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2013-10-10 WO disclosed
US-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 US disclosed
US-20070213355-A1 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases CAPRARO HANS-GEORG 2007-09-13 US disclosed
CN-1882586-A 1H-imidazo[4,5-C]quinoline derivatives in the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2006-12-20 CN disclosed
EP-1689747-A1 1H-IMIDAZO [4,5-C] QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005054238-A1 1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-16 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 (6 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-20130331374-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB ALDH1A1 4361/4885LMNA 892/4885GAA 549/4885
US-20210188844-A1 FUSED PYRIMIDINE PYRIDINONE COMPOUNDS AS JAK INHIBITORS JAK3, JAK1, JAK2 ALDH1A1 2446/4885LMNA 4833/4885GAA 3514/4885
US-10005777-B2 Protein kinase C inhibitors and uses thereof PRKCH, PRKCA, PRKCB ALDH1A1 4361/4885LMNA 892/4885GAA 549/4885
US-20070213355-A1 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases ABL1, PRKCA, PRKCQ ALDH1A1 2948/4885LMNA 1093/4885GAA 974/4885
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 ALDH1A1 2446/4885LMNA 4833/4885GAA 3514/4885
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives STAT6, RELA, NFKB2 ALDH1A1 2263/4885LMNA 2990/4885GAA 3412/4885

“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.