SCHEMBL25377637

SCHEMBL25377637

C=CC(=O)N1CC[C@@H](c2cnc(C3CCC(F)(F)CC3)cc2-c2ccn(C)n2)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.45
▸ BRD4 O60885 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ CDK13 Q14004 3/20 0.39
▸ CDK12 Q9NYV4 3/20 0.39
▸ CDK7 P50613 2/20 0.39
▸ FGFR4 P22455 1/20 0.37
▸ JMJD6 Q6NYC1 1/20 0.36

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
SCHEMBL30561751 1.00 BTK (0.45) BTKBRD4CREBBPCDK13CDK12
SCHEMBL25377645 1.00 BTK (0.45) BTKBRD4CREBBPCDK13CDK12
SCHEMBL25376670 0.95 BTK (0.44) BTKBRD4CREBBPCDK13CDK12
SCHEMBL25259860 0.95 BTK (0.44) BTKBRD4CREBBPCDK13CDK12
SCHEMBL25825805 0.88 BTK (0.44) BTKBRD4CREBBPCDK13CDK12
SCHEMBL25379224 0.86 BTK (0.47) BTKCDK13CDK12CDK7JMJD6
SCHEMBL26196976 0.85 BTK (0.46) BTKCDK13CDK12CDK7JMJD6
SCHEMBL25379494 0.85 BTK (0.45) BTKCREBBPCDK13CDK12CDK7
SCHEMBL25379448 0.84 BTK (0.44) BTKCDK13CDK12CDK7JMJD6
SCHEMBL25256772 0.84 BTK (0.49) BTKCDK13CDK12CDK7JMJD6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030866-B2 2-pyrazole anilines and related analogs for inhibiting YAP/TAZ-TEAD SPRINGWORKS THERAPEUTICS, INC. (US) 2024-07-09 — — US disclosed
US-20230278982-A1 2-Pyrazole Anilines and Related Analogs for Inhibiting YAP/TAZ-TEAD KU LEUVEN R&D (BE) 2023-09-07 — — 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-20230278982-A1 2-Pyrazole Anilines and Related Analogs for Inhibiting YAP/TAZ-TEAD YAP1, TEAD3, TEAD2 BTK 4058/4885BRD4 143/4885CREBBP 14/4885
US-12030866-B2 2-pyrazole anilines and related analogs for inhibiting YAP/TAZ-TEAD YAP1, TEAD3, TEAD2 BTK 4058/4885BRD4 143/4885CREBBP 14/4885

“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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