Sugi Predict

Sugi Predict / Compounds / SCHEMBL396020

SCHEMBL396020

SCHEMBL396020

CN(C)Cc1c[nH]c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.63
▸ PKLR P30613 1/20 0.63
▸ PTPRA P18433 1/20 0.56
▸ CYP2C19 P33261 2/20 0.54
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ NQO2 P16083 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ DAO P14920 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CLK1 P49759 2/20 0.43
▸ HTR2A P28223 3/20 0.43
▸ HTR2C P28335 3/20 0.43

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
SCHEMBL29507879 1.00 PKM (0.63) PKMPKLRPTPRACYP2C19MEN1
SCHEMBL8538163 0.89 NQO2 (0.58) PKMPKLRCYP2C19MEN1KMT2A
SCHEMBL4723013 0.86 PKM (0.67) PKMPKLRPTPRACYP2C19NQO2
SCHEMBL10265469 0.85 PKM (0.69) PKMPKLRPTPRACYP2C19MEN1
SCHEMBL27510748 0.83 PKM (0.54) PKMPKLRPTPRACYP2C19MEN1
SCHEMBL11538649 0.81 PKM (0.72) PKMPKLRPTPRACYP2C19MEN1
SCHEMBL9901135 0.81 PKM (0.68) PKMPKLRPTPRACYP2C19MEN1
SCHEMBL28171417 0.80 PKM (0.63) PKMPKLRPTPRACYP2C19MEN1
SCHEMBL10256587 0.80 PKM (0.63) PKMPKLRPTPRACYP2C19MEN1
SCHEMBL28902308 0.79 PKM (0.61) PKMPKLRPTPRACYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220273659-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO OPERATING COMPANY LLC 2022-09-01 — — US disclosed
EP-3993802-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2022-05-11 — — EP disclosed
CN-114340634-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2022-04-12 — — CN disclosed
CN-107501099-B Modulators of ATP-binding cassette transporters 沃泰克斯药物股份有限公司 2021-03-19 — — CN disclosed
WO-2021003314-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-01-07 — — WO disclosed
US-10807994-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2020-10-20 — — US disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 — — EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 — — US disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 — — US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 — — EP disclosed
CN-101006076-A Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2007-07-25 — — CN disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 — — WO disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 — — WO disclosed
EP-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 — — EP disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 — — US disclosed
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 — — WO disclosed
EP-1064279-B1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION HOFFMANN LA ROCHE (CH) 2003-06-25 — — EP disclosed
EP-1064279-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F.HOFFMANN-LA ROCHE AG (CH) 2001-01-03 — — EP disclosed
US-6048887-A 3-(1H-INDOL-3-YL)-4-(1-METHYL-6-NITRO-1H-INDOL-3-YL)-PYRROLE-2,5 -DIONE(AND OTHER DERIVATIVES) AS ANTICARCINOGENIC, ANTITUMOR OR ANTIPROLIFERATIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-04-11 — — US disclosed
WO-1999047518-A1 SUBSTITUTED BISINDOLYMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1999-09-23 — — 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 (4 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-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 PKM 2544/4885PKLR 3361/4885PTPRA 3202/4885
US-20220273659-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 PKM 428/4885PKLR 965/4885PTPRA 2740/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 PKM 3024/4885PKLR 3662/4885PTPRA 2762/4885
US-10807994-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, CCNE1 PKM 2137/4885PKLR 3323/4885PTPRA 3701/4885

“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.