SCHEMBL6887363

SCHEMBL6887363

CC(C)n1nc(C(F)(F)F)cc1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 9/20 0.44
DLK1 P80370 2/20 0.44
TSHR P16473 2/20 0.42
CRACR2A Q9BSW2 6/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL25646934 0.94 MAP3K12 (0.41) MAP3K12DLK1TSHRCRACR2AKDM4E
SCHEMBL14555383 0.94 MAP3K12 (0.43) MAP3K12DLK1TSHRCRACR2AKDM4E
SCHEMBL15723617 0.89 MAP3K12 (0.41) MAP3K12DLK1TSHRCRACR2A
SCHEMBL25230154 0.88 MAP3K12 (0.40) MAP3K12DLK1TSHRCRACR2APOLB
SCHEMBL25221503 0.84 MAP3K12 (0.38) MAP3K12DLK1TSHRCRACR2AKDM4E
SCHEMBL30409305 0.83 MAP3K12 (0.36) MAP3K12DLK1CRACR2A
SCHEMBL25225550 0.83 MAP3K12 (0.36) MAP3K12DLK1CRACR2A
SCHEMBL15723662 0.83 MAP3K12 (0.40) MAP3K12DLK1TSHR
SCHEMBL25227346 0.81 MAP3K12 (0.35) MAP3K12DLK1CRACR2A
SCHEMBL25270744 0.81 MAP3K12 (0.35) MAP3K12DLK1CRACR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067629-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2024-02-29 US disclosed
EP-3870576-B1 BEZOPYRAZOLE DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2024-01-24 EP disclosed
US-11753399-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2023-09-12 US disclosed
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-20210395262-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-12-23 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-10836746-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2020-11-17 US disclosed
US-10668051-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2020-06-02 US disclosed
US-20190345136-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2019-11-14 US disclosed
US-20190248791-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER RHIZEN PHARMACEUTICALS SA (CH) 2019-08-15 US disclosed
US-9944631-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2018-04-17 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-9873680-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-23 US disclosed
US-20170313690-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS AG (CH) 2017-11-02 US disclosed
US-9758514-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2017-09-12 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-27 US disclosed
US-8377970-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2013-02-19 US disclosed
US-20110112058-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 US disclosed
WO-2011042797-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE -ACTIVATED CALCIUM CHANNEL ICOZEN THERAPEUTICS PVT. LTD. (IN) 2011-04-14 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 (13 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-10668051-B2 Modulators of calcium release-activated calcium channel ORAI1, CACNB2, CACNB1 MAP3K12 3048/4885DLK1 865/4885TSHR 3901/4885
US-20170313690-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E MAP3K12 2595/4885DLK1 857/4885TSHR 3599/4885
US-20110112058-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER ORAI1, CACNB2, CACNB1 MAP3K12 2505/4885DLK1 941/4885TSHR 3949/4885
US-20240067629-A1 THERAPEUTIC COMPOUNDS NPC1, CCR5, FURIN MAP3K12 2161/4885DLK1 4337/4885TSHR 4855/4885
US-20190248791-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER ORAI1, CACNB2, CACNB1 MAP3K12 2505/4885DLK1 941/4885TSHR 3949/4885
US-10836746-B2 Therapeutic compounds NPC1, CCR5, FURIN MAP3K12 2161/4885DLK1 4337/4885TSHR 4855/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN MAP3K12 1616/4885DLK1 4834/4885TSHR 4824/4885
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME ZC3HAV1, MAVS, EIF2AK2 MAP3K12 3385/4885DLK1 4070/4885TSHR 4476/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MAP3K12 1616/4885DLK1 4834/4885TSHR 4824/4885
US-20190345136-A1 THERAPEUTIC COMPOUNDS NPC1, CCR5, FURIN MAP3K12 2161/4885DLK1 4337/4885TSHR 4855/4885
US-11753399-B2 Therapeutic compounds NPC1, CCR5, FURIN MAP3K12 2161/4885DLK1 4337/4885TSHR 4855/4885
US-20210395262-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, REV1, POLR2E MAP3K12 2803/4885DLK1 4597/4885TSHR 4821/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MAP3K12 1616/4885DLK1 4834/4885TSHR 4824/4885

“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.