SCHEMBL25828126

SCHEMBL25828126

Brc1cccc(-c2ccn(Cc3ccccn3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KCNH2 Q12809 1/20 0.42
GRM5 P41594 2/20 0.41
DCTPP1 Q9H773 1/20 0.40
CYP1B1 Q16678 1/20 0.38
ALDH1A1 P00352 3/20 0.37
AGTR1 P30556 1/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL25377943 0.86 ALDH1A1 (0.41) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL17239424 0.84 ALDH1A1 (0.49) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL25378163 0.81 HDAC1 (0.39) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL25252926 0.81 MAPT (0.59) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL5216458 0.77 KDM4E (0.47) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL26192797 0.75 KDM4E (0.46) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL27037279 0.75 ALDH1A1 (0.44) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL5809011 0.73 NPC1 (0.34) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL25827482 0.72 ALDH1A1 (0.46) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL647518 0.71 GRM5 (0.64) LMNASMN1; SMN2MAPTHTTGRM5

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 MEN1 4404/4885KMT2A 1877/4885LMNA 2104/4885
US-12030866-B2 2-pyrazole anilines and related analogs for inhibiting YAP/TAZ-TEAD YAP1, TEAD3, TEAD2 MEN1 4404/4885KMT2A 1877/4885LMNA 2104/4885

“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.