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SCHEMBL25827482

SCHEMBL25827482

FC(F)(F)c1ccc(Cn2ccc(-c3cccc(Br)c3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MAPT P10636 4/20 0.43
▸ LMNA P02545 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HDAC1 Q13547 5/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KDR P35968 1/20 0.40
▸ TEK Q02763 1/20 0.40
▸ KDM1A O60341 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL25827483 0.89 GPR55 (0.47) ALDH1A1HTTMAPTLMNAMEN1
SCHEMBL25252926 0.84 MAPT (0.59) ALDH1A1HTTNPSR1MAPTLMNA
SCHEMBL28825602 0.82 ALDH1A1 (0.51) ALDH1A1HTTNPSR1MAPTLMNA
SCHEMBL31128117 0.79 ALDH1A1 (0.52) ALDH1A1HTTNPSR1MAPTLMNA
SCHEMBL26192797 0.76 KDM4E (0.46) ALDH1A1HTTMAPTLMNAMEN1
SCHEMBL1834668 0.75 GPR55 (0.46) ALDH1A1HTTNPSR1MAPTLMNA
SCHEMBL1831230 0.73 ALDH1A1 (0.44) ALDH1A1HTTNPSR1MAPTLMNA
SCHEMBL25828126 0.72 MEN1 (0.42) ALDH1A1HTTMAPTLMNAMEN1
SCHEMBL25377556 0.71 TGM2 (0.42) HDAC1HDAC6HDAC7KDR
SCHEMBL3556111 0.70 TP53 (0.48) ALDH1A1MAPTKDM4ENPC1HPGD

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 6 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-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
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 ALDH1A1 2212/4885HTT 3826/4885NPSR1 4655/4885
US-12030866-B2 2-pyrazole anilines and related analogs for inhibiting YAP/TAZ-TEAD YAP1, TEAD3, TEAD2 ALDH1A1 2212/4885HTT 3826/4885NPSR1 4655/4885

“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.