SCHEMBL21054808

SCHEMBL21054808

Cn1nnc(-c2cc(C(N)=O)ccc2Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.45
▸ AKR1C2 P52895 1/20 0.45
▸ ABCG2 Q9UNQ0 10/20 0.44
▸ ABCB1 P08183 2/20 0.40
▸ TEAD1 P28347 1/20 0.40
▸ YAP1 P46937 1/20 0.40
▸ P2RY14 Q15391 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ EPHB2 P29323 1/20 0.38
▸ DDR1 Q08345 1/20 0.38
▸ DDR2 Q16832 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 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
SCHEMBL30062661 1.00 AKR1C3 (0.45) AKR1C3AKR1C2ABCG2ABCB1TEAD1
SCHEMBL21054627 0.90 AKR1C3 (0.51) AKR1C3AKR1C2ABCG2ABCB1TEAD1
SCHEMBL30062663 0.90 AKR1C3 (0.51) AKR1C3AKR1C2ABCG2ABCB1TEAD1
SCHEMBL21090762 0.89 DDR2 (0.48) AKR1C3AKR1C2AURKACCNA2CDK2
SCHEMBL21055838 0.88 ABCG2 (0.48) AKR1C3AKR1C2ABCG2ABCB1TEAD1
SCHEMBL30062650 0.88 ABCG2 (0.48) AKR1C3AKR1C2ABCG2ABCB1TEAD1
SCHEMBL21054644 0.88 ABCG2 (0.46) AKR1C3AKR1C2ABCG2ABCB1TEAD1
SCHEMBL30063574 0.88 AKR1C3 (0.43) AKR1C3AKR1C2ABCG2ABCB1TEAD1
SCHEMBL21090776 0.88 AKR1C3 (0.43) AKR1C3AKR1C2ABCG2ABCB1TEAD1
SCHEMBL21090761 0.86 ABCG2 (0.44) AKR1C3AKR1C2ABCG2ABCB1TEAD1

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-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-22 — — US disclosed
US-11524943-B1 Benzocarbonyl compounds VIVACE THERAPEUTICS, INC. (US) 2022-12-13 — — US disclosed
US-11524943-B1 Benzocarbonyl compounds VIVACE THERAPEUTICS, INC. (US) 2022-12-13 — — US disclosed
EP-3720430-A1 BENZOCARBONYL COMPOUNDS Vivace Therapeutics, Inc. (US) 2020-10-14 — — EP disclosed
WO-2019113236-A1 BENZOCARBONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-06-13 — — WO disclosed
WO-2019113236-A1 BENZOCARBONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-06-13 — — 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-11524943-B1 Benzocarbonyl compounds YAP1, TEAD2, TEAD3 AKR1C3 4086/4885AKR1C2 3536/4885ABCG2 2776/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 AKR1C3 2063/4885AKR1C2 1874/4885ABCG2 2217/4885

“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.

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