SCHEMBL26322981

SCHEMBL26322981

CCc1cnc(C(C)(C)C)nc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
FOS P01100 1/20 0.31
JUN P05412 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 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
SCHEMBL21341722 0.82 KDM4E (0.30)
SCHEMBL21398078 0.80 NOS3 (0.37) NOS3NOS1NOS2FOSJUN
SCHEMBL21398074 0.80 NOS3 (0.33) NOS3NOS1NOS2FOSJUN
SCHEMBL21341344 0.79 LMNA (0.42)
SCHEMBL15429616 0.78 DHFR (0.45) NOS3NOS1NOS2
SCHEMBL10235091 0.78 DHFR (0.41) NOS3NOS1NOS2
SCHEMBL10233516 0.76 DHFR (0.33) NOS3NOS1NOS2FOSJUN
SCHEMBL12563208 0.76 POLB (0.33) NOS3NOS1NOS2
SCHEMBL10235454 0.76 MCHR1 (0.33) NOS3NOS1NOS2
SCHEMBL10235456 0.76 FOS (0.36) NOS3NOS1NOS2FOSJUN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025902-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF EGFR AND RELATED METHODS OF USE BEONE MEDICINES I GMBH (CH) 2024-01-25 US disclosed
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
US-20230295130-A1 COMPOUND USEFUL AS CDK7 KINASE INHIBITOR AND USE THEREOF TYK MEDICINES, INC. (CN) 2023-09-21 US disclosed
US-20230295130-A1 COMPOUND USEFUL AS CDK7 KINASE INHIBITOR AND USE THEREOF TYK MEDICINES, INC. (CN) 2023-09-21 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 (3 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-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 NOS3 3270/4885NOS1 2959/4885NOS2 2730/4885
US-20230295130-A1 COMPOUND USEFUL AS CDK7 KINASE INHIBITOR AND USE THEREOF CDK7, CDK6, CDK9 NOS3 4157/4885NOS1 3804/4885NOS2 3903/4885
US-20240025902-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF EGFR AND RELATED METHODS OF USE EGFR, ERBB2, CBL NOS3 4673/4885NOS1 4700/4885NOS2 4715/4885

“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.