SCHEMBL21090761

SCHEMBL21090761

CCNC(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)c(-c2nnn(C)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 9/20 0.44
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ P2RY14 Q15391 1/20 0.41
▸ PDK2 Q15119 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ ABCB1 P08183 2/20 0.38
▸ MCHR1 Q99705 2/20 0.38
▸ BRD4 O60885 2/20 0.38
▸ TEAD1 P28347 1/20 0.38
▸ YAP1 P46937 1/20 0.38
▸ HDAC6 Q9UBN7 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
SCHEMBL30061347 1.00 ABCG2 (0.44) ABCG2AKR1C3AKR1C2P2RY14PDK2
SCHEMBL21053159 0.90 MAPT (0.46) AKR1C3AKR1C2MAPT
SCHEMBL21054644 0.89 ABCG2 (0.46) ABCG2AKR1C3AKR1C2P2RY14ABCB1
SCHEMBL21054627 0.87 AKR1C3 (0.51) ABCG2AKR1C3AKR1C2MAPTABCB1
SCHEMBL30062663 0.87 AKR1C3 (0.51) ABCG2AKR1C3AKR1C2MAPTABCB1
SCHEMBL30061311 0.86 ABCG2 (0.46) ABCG2AKR1C3AKR1C2PDK2MAPT
SCHEMBL21090678 0.86 ABCG2 (0.46) ABCG2AKR1C3AKR1C2PDK2MAPT
SCHEMBL21091056 0.86 TYK2 (0.41) BRD4
SCHEMBL21054808 0.86 AKR1C3 (0.45) ABCG2AKR1C3AKR1C2P2RY14ABCB1
SCHEMBL30062661 0.86 AKR1C3 (0.45) ABCG2AKR1C3AKR1C2P2RY14ABCB1

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 4 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-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
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 ABCG2 2776/4885AKR1C3 4086/4885AKR1C2 3536/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 ABCG2 2217/4885AKR1C3 2063/4885AKR1C2 1874/4885

“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.

Send feedback