SCHEMBL25825805

SCHEMBL25825805

C=CC(=O)N1CCC(c2cnc(N3CCC(F)(F)CC3)cc2-c2ccn(C)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.44
▸ ADRA1A P35348 2/20 0.41
▸ RET P07949 1/20 0.37
▸ CDK7 P50613 1/20 0.37
▸ CDK13 Q14004 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ JMJD6 Q6NYC1 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
SCHEMBL25379494 0.95 BTK (0.45) BTKADRA1ARETCDK7CDK13
SCHEMBL25377175 0.91 BTK (0.47) BTKRETCDK7CDK13CDK12
SCHEMBL25377171 0.91 BTK (0.47) BTKRETCDK7CDK13CDK12
SCHEMBL25296155 0.91 BTK (0.44) BTKRETCDK7CDK13CDK12
SCHEMBL30510014 0.91 BTK (0.44) BTKRETCDK7CDK13CDK12
SCHEMBL25379658 0.91 BTK (0.44) BTKRETCDK7CDK13CDK12
SCHEMBL30561773 0.91 BTK (0.44) BTKRETCDK7CDK13CDK12
SCHEMBL25825931 0.90 BTK (0.47) BTKRETCDK7CDK13CDK12
SCHEMBL26196907 0.90 BTK (0.47) BTKRETCDK7CDK13CDK12
SCHEMBL25379448 0.90 BTK (0.44) BTKRETCDK7CDK13CDK12

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-12030866-B2 2-pyrazole anilines and related analogs for inhibiting YAP/TAZ-TEAD SPRINGWORKS THERAPEUTICS, INC. (US) 2024-07-09 — — US disclosed
WO-2023122780-A9 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 — — WO 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
WO-2023122780-A2 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-06-29 — — WO 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 4058/4885ADRA1A 3735/4885RET 1377/4885
US-12030866-B2 2-pyrazole anilines and related analogs for inhibiting YAP/TAZ-TEAD YAP1, TEAD3, TEAD2 BTK 4058/4885ADRA1A 3735/4885RET 1377/4885

“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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