SCHEMBL26777976

SCHEMBL26777976

CNc1cc(C(C)(C)C)nc(C(C)(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ HMGCR P04035 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.32
▸ NUDT1 P36639 1/20 0.32
▸ HTR6 P50406 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
SCHEMBL173244 0.79 HMGCR (0.46) HMGCRKDM4EHSD17B10
SCHEMBL25846980 0.79 NOS3 (0.42) NOS3NOS2KDM4EHSD17B10NUDT1
SCHEMBL21341475 0.74 CCR4 (0.47) KDM4EHSD17B10
SCHEMBL17300821 0.72 HMGCR (0.33) HMGCR
SCHEMBL17300826 0.72 HRH3 (0.39) HMGCR
SCHEMBL12257766 0.71 KDM4E (0.39) NOS3NOS2HMGCRKDM4EHSD17B10
SCHEMBL21341471 0.71 HMGCR (0.46) HMGCRHSD17B10
SCHEMBL19051434 0.70 HSD17B10 (0.42) NOS3NOS2HMGCRKDM4EHSD17B10
SCHEMBL7255653 0.70 HMGCR (0.37) HMGCRKDM4EHSD17B10
SCHEMBL26020405 0.70 HMGCR (0.37) HMGCRKDM4EHSD17B10

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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 3270/4885NOS2 2730/4885HMGCR 3982/4885
US-20240025902-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF EGFR AND RELATED METHODS OF USE EGFR, ERBB2, CBL NOS3 4673/4885NOS2 4715/4885HMGCR 3810/4885

“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.

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