SCHEMBL7433946

SCHEMBL7433946

Cc1ccc2c(c1)NC(=O)C2(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.57
PDK4 Q16654 1/20 0.57
MAPK14 Q16539 5/20 0.48
AKR1B1 P15121 1/20 0.47
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
ATAD2 Q6PL18 1/20 0.44
PGR P06401 4/20 0.44
BMPR1B O00238 1/20 0.42
BMPR1A P36894 1/20 0.42
TGFBR1 P36897 1/20 0.42
ACVRL1 P37023 1/20 0.42
ACVR1 Q04771 1/20 0.42
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL2265773 0.84 CYP1A2 (0.57) PDK2PDK4AKR1B1CYP1A2POLB
SCHEMBL31238639 0.84 CYP1A2 (0.57) PDK2PDK4AKR1B1CYP1A2POLB
SCHEMBL28510693 0.83 SMN1; SMN2 (0.41) PDK2PDK4AKR1B1CYP1A2POLB
SCHEMBL23972238 0.81 AKR1B1 (0.45) PDK2PDK4MAPK14AKR1B1CYP1A2
SCHEMBL11225066 0.78 CYP1A2 (0.51) MAPK14AKR1B1CYP1A2POLBCYP3A4
SCHEMBL12782420 0.78 AKR1B1 (0.46) AKR1B1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL1972936 0.78 PDK2 (0.55) PDK2PDK4MAPK14AKR1B1CYP1A2
SCHEMBL1223198 0.78 PDK2 (0.55) PDK2PDK4MAPK14ATAD2PGR
SCHEMBL2144278 0.78 PDK2 (0.55) PDK2PDK4MAPK14ATAD2PGR
SCHEMBL13617327 0.78 PDK2 (0.55) PDK2PDK4MAPK14ATAD2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3152210-B1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2023-07-05 EP disclosed
US-20230159465-A1 IMMUNOMODULATOR HITGEN INC. (CN) 2023-05-25 US disclosed
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO disclosed
WO-2021130731-A1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LIMITED (IN) 2021-07-01 WO disclosed
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 EP disclosed
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2020-04-09 US disclosed
EP-3517536-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-07-31 EP disclosed
WO-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO disclosed
US-10005767-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-10005767-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
EP-1894932-A1 5-amino-2,4,7-trioxo-3,4,7,8-tetrahydro-2H-pyrido[2,3-d]pyrimidine derivatives and related compounds for the treatment of cancer Japan Tobacco, Inc. (JP) 2008-03-05 EP disclosed
EP-1761528-B1 5-AMINO-2,4,7-TRIOXO-3,4,7,8-TETRAHYDRO-2H-PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF CANCER JAPAN TOBACCO INC (JP) 2008-01-09 EP disclosed
WO-2006119504-A2 FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2006-11-09 WO disclosed
EP-0780388-B1 5HT1Dalpha and 5HT2A ligands LILLY CO ELI (GB) 2001-08-16 EP disclosed
US-6166040-A Indole compounds ELI LILLY AND COMPANY LIMITED (GB) 2000-12-26 US disclosed
EP-0963983-A1 Indol-2-ones as serotonin modulators ELI LILLY AND COMPANY LIMITED (GB) 1999-12-15 EP disclosed
US-5773448-A NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1998-06-30 US disclosed
EP-0780388-A1 5HT1Dalpha and 5HT2A ligands LILLY INDUSTRIES LIMITED (GB) 1997-06-25 EP disclosed
US-4933336-A Thiadiazinone, oxadiazinone and triazinone derivatives, and their use for treating acute or chronic heart disease LABORATOIRES SOBIO S.A. (FR) 1990-06-12 US disclosed
EP-0303418-A2 Substituted indolones, useful in the treatment of heart or asthmatic diseases SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1989-02-15 EP 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 (3 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-20230159465-A1 IMMUNOMODULATOR IL2, IL17A, IL2RA PDK2 2977/4885PDK4 3984/4885MAPK14 1849/4885
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD PDK2 918/4885PDK4 1166/4885MAPK14 1490/4885
US-10005767-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 PDK2 831/4885PDK4 2358/4885MAPK14 149/4885

“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.