SCHEMBL25827431

SCHEMBL25827431

COC(=O)c1ccncc1CBr

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 5/20 0.58
GLA P06280 2/20 0.58
GAA P10253 2/20 0.58
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
KMT2A Q03164 2/20 0.41
KDM4C Q9H3R0 3/20 0.41
KDM6B O15054 2/20 0.41
CYP46A1 Q9Y6A2 1/20 0.41
HSD17B10 Q99714 5/20 0.41
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
NCOA1 Q15788 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
SCHEMBL17078728 0.87 ALDH1A1 (0.54) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL845125 0.86 ALDH1A1 (0.62) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL28613135 0.85 ALDH1A1 (0.60) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL3961945 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL5864466 0.84 TSHR (0.47) ALDH1A1KDM4EGLAGAAKMT2A
SCHEMBL23639428 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL21786269 0.83 ALDH1A1 (0.63) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL18258096 0.83 KDM4E (0.39) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL15832960 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL19838578 0.80 ALDH1A1 (0.54) ALDH1A1KDM4EGLAGAALMNA

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 7 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
CN-112119082-A Pyrrolobenzodiazepines and conjugates thereof 免疫医疗有限公司 2020-12-22 CN 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 2212/4885KDM4E 1163/4885GLA 2615/4885
US-12030866-B2 2-pyrazole anilines and related analogs for inhibiting YAP/TAZ-TEAD YAP1, TEAD3, TEAD2 ALDH1A1 2212/4885KDM4E 1163/4885GLA 2615/4885

“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.