SCHEMBL12796017

SCHEMBL12796017

CC(C)c1cc(C(C)C)c(C(C)C)nn1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL12848583 0.76 NOS3 (0.34) NOS3NOS1NOS2
SCHEMBL24950489 0.76 KDM4E (0.31) CA1CA2
SCHEMBL13636034 0.76 NOS3 (0.34) CA1CA2NOS3NOS1NOS2
SCHEMBL25607104 0.76 GABRA1 (0.30)
SCHEMBL20122648 0.74 GABRA1 (0.37) CA1CA2
SCHEMBL25606946 0.71 ALOX15 (0.31)
SCHEMBL25607270 0.71
SCHEMBL6124129 0.71 SMPD3 (0.35)
SCHEMBL18699197 0.71 ALDH1A1 (0.35)
SCHEMBL19190921 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-01-02 US disclosed
WO-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
US-11731956-B2 Substituted 1,2,4-triazoles as intermediates in the synthesis of TYK2 inhibitors ALUMIS INC. (US) 2023-08-22 US disclosed
US-11731956-B2 Substituted 1,2,4-triazoles as intermediates in the synthesis of TYK2 inhibitors ALUMIS INC. (US) 2023-08-22 US disclosed
US-20230173078-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-06-08 US disclosed
US-20230173078-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-06-08 US disclosed
US-20230021554-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2023-01-26 US disclosed
US-20230023761-A1 SUBSTITUTED PYRIDINES AS TYK2 INHIBITORS ALUMIS INC. 2023-01-26 US disclosed
US-20210277007-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2021-09-09 US disclosed
US-11053219-B2 Substituted pyridines as TYK2 inhibitors ESKER THERAPEUTICS, INC. (US) 2021-07-06 US disclosed
US-20200354338-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2020-11-12 US disclosed
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-12 US disclosed
WO-2017007756-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE RODIN THERAPEUTICS, INC (US) 2017-01-12 WO disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 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 (11 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-11053219-B2 Substituted pyridines as TYK2 inhibitors TYK2, JAK1, PDXK CA1 4407/4885CA2 4329/4885NOS3 3608/4885
US-20230021554-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 CA1 4610/4885CA2 4725/4885NOS3 4088/4885
US-20230023761-A1 SUBSTITUTED PYRIDINES AS TYK2 INHIBITORS TYK2, JAK1, PDXK CA1 4639/4885CA2 4751/4885NOS3 4046/4885
US-20200354338-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 CA1 4610/4885CA2 4725/4885NOS3 4088/4885
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 CA1 262/4885CA2 582/4885NOS3 4121/4885
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS CA1 3451/4885CA2 1978/4885NOS3 4599/4885
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 CA1 262/4885CA2 582/4885NOS3 4121/4885
US-20230173078-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 CA1 3255/4885CA2 4080/4885NOS3 3933/4885
US-20210277007-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 CA1 262/4885CA2 582/4885NOS3 4121/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 CA1 3904/4885CA2 2262/4885NOS3 248/4885
US-11731956-B2 Substituted 1,2,4-triazoles as intermediates in the synthesis of TYK2 inhibitors TYK2, JAK1, JAK3 CA1 4429/4885CA2 4601/4885NOS3 2382/4885

“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.