SCHEMBL25833132

SCHEMBL25833132

N#Cc1ncc(-c2ccc(F)cc2)cc1-c1ccn(C2CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.38
TGFBR2 P37173 2/20 0.38
CHEK1 O14757 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ABL1 P00519 1/20 0.35
GRIN2B Q13224 2/20 0.35
CYP11B2 P19099 3/20 0.34
CYP11B1 P15538 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 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
SCHEMBL25833424 0.84 TGFBR1 (0.38) TGFBR1TGFBR2ADORA2AADORA1ABL1
SCHEMBL25380379 0.83 CYP11B1 (0.41) TGFBR1TGFBR2ADORA2AADORA1ABL1
SCHEMBL30510017 0.83 CYP11B1 (0.41) TGFBR1TGFBR2ADORA2AADORA1ABL1
SCHEMBL25833010 0.83 SCN4A (0.45) TGFBR1CHEK1ADORA2AGRIN2BCYP11B2
SCHEMBL26193069 0.80 TGFBR1 (0.37) TGFBR1TGFBR2CHEK1GRIN2BCYP11B2
SCHEMBL1553745 0.75 SCN4A (0.46) TGFBR1CYP11B2CYP11B1ALDH1A1AR
SCHEMBL30510090 0.72 CDK7 (0.42) TGFBR1GRIN2B
SCHEMBL25379650 0.72 CDK7 (0.42) TGFBR1GRIN2B
SCHEMBL25833063 0.72 ERBB2 (0.41) CHEK1CYP11B2CYP11B1ALDH1A1CYP1A2
SCHEMBL30509969 0.71 GRIN1 (0.41) GRIN2BCYP11B2CYP11B1ALDH1A1CYP1A2

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 TGFBR1 2525/4885TGFBR2 1779/4885CHEK1 1428/4885
US-12030866-B2 2-pyrazole anilines and related analogs for inhibiting YAP/TAZ-TEAD YAP1, TEAD3, TEAD2 TGFBR1 2525/4885TGFBR2 1779/4885CHEK1 1428/4885

“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.