SCHEMBL22950665

SCHEMBL22950665

COc1cc(C(C)(C)C)c(C(C)(C)C)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.38
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36
ALOX5AP P20292 1/20 0.35

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
SCHEMBL10201866 0.83 NNMT (0.47) NNMTCA2CA1GABRPGABRD
SCHEMBL22564748 0.83 NNMT (0.43) NNMTCA2CA1GABRPGABRD
SCHEMBL21718448 0.82 MEN1 (0.35) NNMTCA2CA1GABRPGABRD
SCHEMBL21718906 0.82 ALOX5AP (0.39) NNMTCA2CA1GABRPGABRD
SCHEMBL13334831 0.82 MEN1 (0.38) NNMTCA2CA1GABRPGABRD
SCHEMBL16472498 0.82 ALOX5AP (0.39) NNMTCA2CA1GABRPGABRD
SCHEMBL22962826 0.79 ALOX5AP (0.34) NNMTCA2CA1GABRPGABRD
SCHEMBL16072982 0.77 ERN1 (0.40) NNMTCA2CA1ALOX5APFEN1
SCHEMBL25144513 0.75 THRB (0.38) CA2CA1CYP3A4HPGDALOX15
SCHEMBL26465669 0.72 KDM4E (0.37) CA2CA1LMNATP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2023-11-23 US disclosed
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2023-11-23 US disclosed
US-11708367-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-07-25 US disclosed
US-11708367-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-07-25 US disclosed
US-11673897-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-06-13 US disclosed
US-20230118751-A1 FUSED RING COMPOUND AND APPLICATION THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-04-20 US disclosed
US-20210040099-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2021-02-11 US disclosed
US-20210032263-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2021-02-04 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 (6 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-11708367-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, ERBB3, MAP3K6 NNMT 507/4885CA2 3011/4885CA1 4337/4885
US-20210040099-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, ERBB3, MAP3K6 NNMT 507/4885CA2 3011/4885CA1 4337/4885
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, ERBB3, MAP3K6 NNMT 507/4885CA2 3011/4885CA1 4337/4885
US-20230118751-A1 FUSED RING COMPOUND AND APPLICATION THEREOF P2RX4, P2RX3, P2RX2 NNMT 1304/4885CA2 273/4885CA1 787/4885
US-20210032263-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, MAP3K6, PRKCH NNMT 638/4885CA2 3417/4885CA1 4538/4885
US-11673897-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, MAP3K6, PRKCH NNMT 638/4885CA2 3417/4885CA1 4538/4885

“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.