SCHEMBL22843501

SCHEMBL22843501

CN(CP)S(=O)(=O)c1ccc(Nc2ccc(C#N)cn2)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 3/20 0.41
▸ SIRT2 Q8IXJ6 2/20 0.40
▸ CCR6 P51684 8/20 0.36
▸ CCNK O75909 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK12 Q9NYV4 1/20 0.35
▸ TYK2 P29597 2/20 0.35
▸ IRAK4 Q9NWZ3 3/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL22718262 0.85 CCR6 (0.44) IDH1SIRT2CCR6
SCHEMBL22843419 0.82 TEAD1 (0.40) IDH1SIRT2CCR6CCNKCCNA2
SCHEMBL22843417 0.82 KDM4E (0.37) CCNA2CDK2RAB9A
SCHEMBL22843399 0.81 MAPT (0.45) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL22843422 0.80 CDK2 (0.36) CCNA2CDK2TYK2RAB9A
SCHEMBL22843410 0.79 TNNI3K (0.40) —
SCHEMBL22843415 0.75 CA2 (0.36) —
SCHEMBL22843472 0.72 KMT2A (0.38) —
SCHEMBL22843409 0.72 CYP2C9 (0.37) CDK2
SCHEMBL29438849 0.69 CCR6 (0.41) IDH1CCR6TYK2

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-11760728-B2 Tead inhibitors and uses thereof Ikena Oncology, Inc. (US) 2023-09-19 — — US disclosed
US-11274082-B2 Tead inhibitors and uses thereof Ikena Oncology, Inc. (US) 2022-03-15 — — US disclosed
US-20200407327-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2020-12-31 — — 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 (3 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-11274082-B2 Tead inhibitors and uses thereof TEAD2, TEAD3, TEAD4 IDH1 256/4885SIRT2 1689/4885CCR6 4335/4885
US-11760728-B2 Tead inhibitors and uses thereof TEAD2, TEAD3, TEAD4 IDH1 256/4885SIRT2 1689/4885CCR6 4335/4885
US-20200407327-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 IDH1 256/4885SIRT2 1689/4885CCR6 4335/4885

“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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