SCHEMBL22719730

SCHEMBL22719730

Nc1ccc2c(c1)N(c1cccc(C(F)(F)F)c1)CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR1A P08908 1/20 0.44

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
SCHEMBL29505029 0.85 SCN9A (0.48) ALDH1A1MAPTKDM4EMAPK1DHFR
SCHEMBL22719567 0.85 SCN9A (0.48) ALDH1A1MAPTKDM4EMAPK1DHFR
SCHEMBL24286688 0.82 RORC (0.46) ALOX5PTGS1PTGS2ALDH1A1MAPT
SCHEMBL22719590 0.81 SLC6A9 (0.46) ALOX5PTGS1PTGS2ALDH1A1MAPT
SCHEMBL25177736 0.80 BRD4 (0.48) ALDH1A1MAPTKDM4ETSHRMAPK1
SCHEMBL24286627 0.79 ALDH1A1 (0.40) ALOX5PTGS1PTGS2ALDH1A1MAPT
SCHEMBL24286977 0.78 RORC (0.41) ALOX5PTGS1PTGS2ALDH1A1MAPT
SCHEMBL24287017 0.78 ALDH1A1 (0.40) ALOX5PTGS1PTGS2ALDH1A1MAPT
SCHEMBL24286541 0.78 ALDH1A1 (0.39) ALOX5PTGS1PTGS2ALDH1A1MAPT
SCHEMBL699190 0.77 ALDH1A1 (0.44) ALOX5PTGS1PTGS2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11925651-B2 TEAD inhibitors and uses thereof Ikena Oncology, Inc. (US) 2024-03-12 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-11458149-B1 TEAD inhibitors and uses thereof Ikena Oncology, Inc. (US) 2022-10-04 US disclosed
CN-114502540-A TEAD inhibitors and uses thereof 医肯纳肿瘤学公司 2022-05-13 CN disclosed
EP-3976192-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-04-06 EP disclosed
WO-2020243423-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-12-03 WO disclosed
WO-2020243423-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-12-03 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 (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-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 ALOX5 1759/4885PTGS1 2500/4885PTGS2 2882/4885
US-11925651-B2 TEAD inhibitors and uses thereof TEAD2, TEAD3, TEAD4 ALOX5 1759/4885PTGS1 2500/4885PTGS2 2882/4885
US-11458149-B1 TEAD inhibitors and uses thereof TEAD2, TEAD3, TEAD4 ALOX5 1759/4885PTGS1 2500/4885PTGS2 2882/4885

“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.