SCHEMBL26193402

SCHEMBL26193402

Cn1ccc(-c2cc(C3CCC(F)(F)C3)ncc2C2CCCC2)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JMJD6 Q6NYC1 1/20 0.36
▸ IRAK4 Q9NWZ3 5/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ CREBBP Q92793 4/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ IRAK1 P51617 4/20 0.34
▸ BMPR1A P36894 1/20 0.33
▸ ACVRL1 P37023 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ MAPK10 P53779 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ MAP3K12 Q12852 2/20 0.30
▸ DDB1 Q16531 1/20 0.30
▸ CRBN Q96SW2 1/20 0.30
▸ CAMKK1 Q8N5S9 1/20 0.30
▸ CAMKK2 Q96RR4 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
SCHEMBL25258733 0.86 IRAK4 (0.35) IRAK4CREBBPBRD4IRAK1
SCHEMBL25299111 0.84 BRD4 (0.38) JMJD6CREBBPBRD4
SCHEMBL25826079 0.82 BRD4 (0.33) IRAK4CREBBPBRD4IRAK1
SCHEMBL25376670 0.81 BTK (0.44) JMJD6CREBBPBRD4
SCHEMBL25259860 0.81 BTK (0.44) JMJD6CREBBPBRD4
SCHEMBL25263611 0.80 IDH1 (0.39) JMJD6ALOX5APFEN1
Trifluoroacetic Acid SCHEMBL30510178 0.80 BRD4 (0.33) JMJD6IRAK4CREBBPBRD4IRAK1
SCHEMBL26193347 0.76 JMJD6 (0.37) JMJD6IRAK4ALOX5APFEN1CREBBP
SCHEMBL26193404 0.76 BMPR1A (0.40) JMJD6IRAK4ALOX5APFEN1CREBBP
SCHEMBL26193350 0.76 JMJD6 (0.42) JMJD6IRAK4ALOX5APFEN1CREBBP

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 JMJD6 916/4885IRAK4 2761/4885ALOX5AP 3911/4885
US-12030866-B2 2-pyrazole anilines and related analogs for inhibiting YAP/TAZ-TEAD YAP1, TEAD3, TEAD2 JMJD6 916/4885IRAK4 2761/4885ALOX5AP 3911/4885

“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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