SCHEMBL6985537

SCHEMBL6985537

CC(C)(C)n1cc(C#N)cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.38
HDAC8 Q9BY41 2/20 0.35
KDM5A P29375 1/20 0.35
KDM5C P41229 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
KDM4E B2RXH2 1/20 0.33
CYP11B2 P19099 3/20 0.33
EP300 Q09472 3/20 0.32
KIF11 P52732 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
AR P10275 2/20 0.31
PGR P06401 1/20 0.31

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
SCHEMBL25014958 0.81 CYP19A1 (0.38) CYP19A1KDM4ECYP11B2ARPGR
SCHEMBL15912634 0.79 CYP19A1 (0.38) CYP19A1KDM4ECYP11B2KIF11AR
SCHEMBL945086 0.73
SCHEMBL23139046 0.71 AR (0.46) IRAK4ARPGR
SCHEMBL26854569 0.69 CREBBP (0.35) CYP19A1KDM4EIRAK4
SCHEMBL26854653 0.69 CREBBP (0.35) CYP19A1KDM4EIRAK4
SCHEMBL24185534 0.69 CHRNB2 (0.32)
SCHEMBL26860428 0.69 IRAK4 (0.32) CYP19A1CYP11B2IRAK4AR
SCHEMBL21166143 0.69 NPC1 (0.33) KDM5B
SCHEMBL23852101 0.68 FFAR1 (0.48) IRAK4ARPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025242565-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF IN THE PREVENTION OR THERAPY OF DISEASES Samsara Therapeutics Inc. (US) 2025-11-27 WO disclosed
EP-4653432-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF IN THE PREVENTION OR THERAPY OF DISEASES Samsara Therapeutics Inc. (US) 2025-11-26 EP disclosed
US-20230021308-A9 C7, C12, AND C16 SUBSTITUTED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS, INC. 2023-01-19 US disclosed
US-20230011652-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-12 US disclosed
US-20220002340-A1 C7, C12, AND C16 SUBSTITUTED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS INC (US) 2022-01-06 US disclosed
WO-2020135454-A1 CLASS OF STEROID COMPOUNDS AND USE THEREOF 张家口华健致远生物科技有限公司 2020-07-02 WO disclosed
US-20190233465-A1 C7, C12, AND C16 SUBSTITUTED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS, INC. (US) 2019-08-01 US disclosed
EP-3207044-B1 PESTICIDALLY ACTIVE TETRACYCLIC HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-07-25 EP disclosed
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-10-26 US disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 US disclosed
US-20140343049-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-20 US disclosed
US-20140249316-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA CROP PROTECTION LLC (US) 2014-09-04 US disclosed
US-8754053-B2 Isoxazoline derivatives as insecticides SYNGENTA CROP PROTECTION LLC (US) 2014-06-17 US disclosed
US-8552007-B2 Mesoionic pesticides E.I. DU PONT DE NEMOURS AND COMPANY (US) 2013-10-08 US disclosed
US-20130237583-A1 PROCESS FOR THE PREPARATION OF DIHYDROPYRROLE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-09-12 US disclosed
US-20120329769-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-12-27 US disclosed
US-20120316124-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-12-13 US disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-20100323887-A1 MESOIONIC PESTICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-23 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 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 (12 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-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR CYP19A1 2962/4885HDAC8 1259/4885KDM5A 4457/4885
US-20120329769-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS FOXM1, NDUFC1, H1-0 CYP19A1 458/4885HDAC8 2358/4885KDM5A 795/4885
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE GRIN2A, GRIN2C, GRIN2B CYP19A1 3988/4885HDAC8 1829/4885KDM5A 2624/4885
US-20230021308-A9 C7, C12, AND C16 SUBSTITUTED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE CNR1, CNR2, CYP21A2 CYP19A1 116/4885HDAC8 2764/4885KDM5A 2809/4885
US-20190233465-A1 C7, C12, AND C16 SUBSTITUTED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE CNR1, CNR2, ADRA1B CYP19A1 128/4885HDAC8 2506/4885KDM5A 2856/4885
US-20230011652-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CYP19A1 2444/4885HDAC8 965/4885KDM5A 4401/4885
US-20100323887-A1 MESOIONIC PESTICIDES DDT, CHRM1, CHRM3 CYP19A1 339/4885HDAC8 4553/4885KDM5A 1137/4885
US-20140343049-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS NQO2, NIT2, QDPR CYP19A1 538/4885HDAC8 1941/4885KDM5A 518/4885
US-20140249316-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES ACHE, CHRM1, ITPR3 CYP19A1 503/4885HDAC8 991/4885KDM5A 1377/4885
US-20120316124-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES CHRM1, ACHE, P2RX7 CYP19A1 538/4885HDAC8 852/4885KDM5A 1338/4885
US-20220002340-A1 C7, C12, AND C16 SUBSTITUTED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE CNR1, CNR2, CYP21A2 CYP19A1 116/4885HDAC8 2764/4885KDM5A 2809/4885
US-20130237583-A1 PROCESS FOR THE PREPARATION OF DIHYDROPYRROLE DERIVATIVES CYP1A1, CYP1B1, CYP1A2 CYP19A1 76/4885HDAC8 3921/4885KDM5A 2559/4885

“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.