SCHEMBL30306485

SCHEMBL30306485

CC(C)(C)c1cccc(Nc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 10/20 1.00
▸ PKMYT1 Q99640 3/20 0.74
▸ CTSC P53634 3/20 0.69
▸ CCNK O75909 1/20 0.63
▸ CCNA2 P20248 1/20 0.63
▸ CDK2 P24941 1/20 0.63
▸ CCND3 P30281 1/20 0.63
▸ CDK9 P50750 1/20 0.63
▸ CDK6 Q00534 1/20 0.63
▸ ALK Q9UM73 1/20 0.60
▸ NTRK1 P04629 1/20 0.58
▸ IGF1R P08069 2/20 0.58
▸ INSR P06213 1/20 0.57
▸ PTK2 Q05397 1/20 0.57
▸ PTK2B Q14289 1/20 0.57

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
SCHEMBL17526171 1.00 BRD4 (1.00) BRD4PKMYT1CTSCCCNKCCNA2
SCHEMBL17526321 0.90 BRD4 (1.00) BRD4CTSCCCNKCCND3CDK9
SCHEMBL11915885 0.84 PKMYT1 (0.74) BRD4PKMYT1CTSCCCNKCCNA2
SCHEMBL30306393 0.83 BRD4 (1.00) BRD4PKMYT1ALK
SCHEMBL17526325 0.83 BRD4 (1.00) BRD4PKMYT1ALK
SCHEMBL24842814 0.82 CTSC (1.00) BRD4CTSCALK
SCHEMBL29816859 0.82 CTSC (1.00) BRD4CTSCALK
SCHEMBL29816830 0.81 CTSC (0.80) BRD4CTSC
SCHEMBL25658135 0.81 CTSC (0.80) BRD4CTSC
SCHEMBL270416 0.80 BRD4 (1.00) BRD4CTSCALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-05-09 — — 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 (1 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-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics BRD4, BICRA, BRDT BRD4 1/4885PKMYT1 2856/4885CTSC 3535/4885

“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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