SCHEMBL15051595

SCHEMBL15051595

CC(C)(O)C(C)(C)OB(O)c1cnccc1C#N

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
HTT P42858 1/20 0.32
GABRA2 P47869 1/20 0.32
SLC22A12 Q96S37 6/20 0.31
LATS1 O95835 1/20 0.31
SLC22A6 Q4U2R8 2/20 0.31
SLC22A11 Q9NSA0 1/20 0.31
GPR119 Q8TDV5 2/20 0.31
ELANE P08246 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL17099864 0.89 LATS1 (0.33) KMT2AMEN1NCOA3GABRA1GABRG2
SCHEMBL840344 0.80 TSHR (0.35) HTTALDH1A1SMN1; SMN2
SCHEMBL4353461 0.78 GAA (0.30)
SCHEMBL16322879 0.78
SCHEMBL15484154 0.77 CA12 (0.39)
SCHEMBL520070 0.77 HTT (0.42) KMT2AMEN1NCOA3HTTELANE
SCHEMBL16010264 0.77 SIRT3 (0.30)
SCHEMBL18839479 0.76 SSTR4 (0.33) ALDH1A1
SCHEMBL17112797 0.75 GAA (0.33) LATS1
SCHEMBL2471793 0.75 GPR119 (0.32) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986248-A PRMT5 inhibitors 北京望实智慧科技有限公司 2024-05-07 CN disclosed
US-20220227751-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS. GALAPAGOS NV (BE) 2022-07-21 US disclosed
EP-4019519-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos N.V. (BE) 2022-06-29 EP disclosed
EP-3378862-B1 DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF MULTIPLE SCLEROSIS GALAPAGOS NV (BE) 2022-03-16 EP disclosed
US-11220499-B2 Dihydropyrimidinoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2022-01-11 US disclosed
CN-112159361-A Electron transport material, organic electroluminescent device and display device 烟台显华化工科技有限公司 2021-01-01 CN disclosed
US-20190002458-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS. GALAPAGOS NV (BE) 2019-01-03 US disclosed
EP-3378862-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos N.V. (BE) 2018-09-26 EP disclosed
EP-2858988-B1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2018-02-28 EP disclosed
EP-2794604-B1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2017-09-13 EP disclosed
EP-2858988-A1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 Novartis AG (CH) 2015-04-15 EP disclosed
US-8927536-B2 Tetrahydrothiazepine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-8927543-B2 Dihydropyrimidinoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2015-01-06 US disclosed
EP-2794604-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos NV (BE) 2014-10-29 EP disclosed
US-20140121204-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS. GALAPAGOS NV (BE) 2014-05-01 US disclosed
US-20140080808-A1 TETRAHYDROTHIAZEPINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-20 US disclosed
EP-2700643-A1 TETRAHYDROTHIAZEPINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-26 EP disclosed
WO-2013171640-A1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2013-11-21 WO disclosed
WO-2013092791-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2013-06-27 WO disclosed
US-20130165437-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS. GALAPAGOS NV (BE) 2013-06-27 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 (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-20140121204-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS. GPR84, GPR88, GPR65 KMT2A 4317/4885MEN1 3389/4885NCOA3 668/4885
US-20220227751-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS. GPR84, GPR88, GPR65 KMT2A 4317/4885MEN1 3389/4885NCOA3 668/4885
US-20190002458-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS. GPR84, GPR88, GPR65 KMT2A 4317/4885MEN1 3389/4885NCOA3 668/4885
US-20130165437-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS. GPR84, GPR88, GPR65 KMT2A 4317/4885MEN1 3389/4885NCOA3 668/4885
US-11220499-B2 Dihydropyrimidinoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders GPR84, GPR88, GPR65 KMT2A 4224/4885MEN1 3506/4885NCOA3 645/4885
US-20140080808-A1 TETRAHYDROTHIAZEPINE DERIVATIVE HSD11B1, HSD11B2, HSD3B1 KMT2A 1329/4885MEN1 1105/4885NCOA3 1506/4885

“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.