SCHEMBL18368362

SCHEMBL18368362

Cc1nc(C#N)ccc1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 6/20 0.37
▸ NQO1 P15559 1/20 0.36
▸ CAMKK2 Q96RR4 1/20 0.36
▸ SOS2 Q07890 1/20 0.34
▸ TRPA1 O75762 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ CTSB P07858 2/20 0.31
▸ PANK3 Q9H999 2/20 0.31
▸ IDH1 O75874 1/20 0.31
▸ KDM5A P29375 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
SCHEMBL13515892 0.80 NQO1 (0.36) NQO1CAMKK2SOS2CTSBPANK3
SCHEMBL22135837 0.78 CAMKK2 (0.35) EGLN2NQO1CAMKK2SOS2LMNA
SCHEMBL27798702 0.77 NQO1 (0.33) EGLN2NQO1
SCHEMBL19117561 0.76 NQO1 (0.44) NQO1CAMKK2IDH1
SCHEMBL19249160 0.76 KDM5A (0.34) NQO1CAMKK2SOS2PANK3KDM5A
SCHEMBL701812 0.74 NOS3 (0.44) EGLN2NQO1SOS2HTR2B
SCHEMBL24679262 0.73 CAMKK2 (0.45) NQO1CAMKK2SOS2CTSBPANK3
SCHEMBL18134405 0.73 ADORA1 (0.41) CAMKK2KDM5A
SCHEMBL26081486 0.73 CAMKK2 (0.33) NQO1CAMKK2SOS2PANK3
SCHEMBL21928096 0.72 EGLN2 (0.40) EGLN2NQO1SOS2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 — — US disclosed
US-20230250129-A1 NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF SAGE THERAPEUTICS, INC. 2023-08-10 — — US disclosed
US-20230250129-A1 NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF SAGE THERAPEUTICS, INC. 2023-08-10 — — US disclosed
US-11325930-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2022-05-10 — — US disclosed
WO-2021262836-A1 3.ALPHA.-HYDROXY, 17.BETA.-C(O)-N-ARYL SUBSTITUTED NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF SAGE THERAPEUTICS, INC. (US) 2021-12-30 — — WO disclosed
US-20210147454-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2021-05-20 — — US disclosed
US-20200392170-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2020-12-17 — — US disclosed
WO-2020132504-A1 3.ALPHA.-HYDROXY-17.BETA.-AMIDE NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF SAGE THERAPEUTICS, INC. (US) 2020-06-25 — — WO disclosed
US-9878995-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2018-01-30 — — US disclosed
US-20170233405-A1 MAX BINDERS AS MYC MODULATORS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2017-08-17 — — US disclosed
US-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-06-01 — — US disclosed
US-20170008905-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 — — US disclosed
WO-2017007689-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2017-01-12 — — 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-11325930-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS EGLN2 848/4885NQO1 603/4885CAMKK2 434/4885
US-20200392170-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS EGLN2 848/4885NQO1 603/4885CAMKK2 434/4885
US-20230250129-A1 NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF MC2R, NR3C2, AVPR1B EGLN2 3641/4885NQO1 3004/4885CAMKK2 2416/4885
US-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS EGLN2 848/4885NQO1 603/4885CAMKK2 434/4885
US-20170233405-A1 MAX BINDERS AS MYC MODULATORS AND USES THEREOF MYC, MYCBP, MYCBP2 EGLN2 4308/4885NQO1 2395/4885CAMKK2 1912/4885
US-20170008905-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS EGLN2 848/4885NQO1 603/4885CAMKK2 434/4885
US-20210147454-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS EGLN2 848/4885NQO1 603/4885CAMKK2 434/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS EGLN2 848/4885NQO1 603/4885CAMKK2 434/4885

“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.

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