SCHEMBL21749306

SCHEMBL21749306

OCCn1cc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT1 P17948 3/20 0.46
▸ KDR P35968 3/20 0.46
▸ MDM2 Q00987 1/20 0.40
▸ SIRT2 Q8IXJ6 2/20 0.39
▸ HDAC3 O15379 3/20 0.39
▸ HDAC4 P56524 3/20 0.39
▸ HDAC1 Q13547 3/20 0.39
▸ HDAC7 Q8WUI4 3/20 0.39
▸ HDAC2 Q92769 3/20 0.39
▸ HDAC10 Q969S8 3/20 0.39
▸ HDAC11 Q96DB2 3/20 0.39
▸ HDAC8 Q9BY41 3/20 0.39
▸ HDAC6 Q9UBN7 3/20 0.39
▸ HDAC9 Q9UKV0 3/20 0.39
▸ HDAC5 Q9UQL6 3/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ TEAD1 P28347 1/20 0.38
▸ YAP1 P46937 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ ALOX5 P09917 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
SCHEMBL20553228 0.88 ALDH1A1 (0.46) FLT1KDRSIRT2YAP1
SCHEMBL20552711 0.87 FLT1 (0.47) FLT1KDRSIRT2TEAD1YAP1
SCHEMBL20552685 0.81 TEAD1 (0.46) FLT1KDREPHX2TEAD1YAP1
SCHEMBL21765173 0.80 MAPK14 (0.43) FLT1KDRMDM2ABCG2MAPK14
SCHEMBL21764712 0.80 PDK2 (0.50) NAMPT
SCHEMBL20552643 0.79 ABCG2 (0.47) HDAC6ABCG2TAS2R14
SCHEMBL20552425 0.79 TEAD1 (0.38) FLT1KDREPHX2TEAD1YAP1
SCHEMBL25787879 0.78 NAMPT (0.37) FLT1KDRSIRT2HDAC3HDAC4
SCHEMBL20552661 0.78 BRAF (0.42) EPHX2TEAD1YAP1ABCG2TAS2R14
SCHEMBL20552347 0.75 ABCG2 (0.46) KDRABCG2TAS2R14

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-11186554-B2 Non-fused tricyclic compounds VIVACE THERAPEUTICS, INC. (US) 2021-11-30 — — US disclosed
US-11186554-B2 Non-fused tricyclic compounds VIVACE THERAPEUTICS, INC. (US) 2021-11-30 — — US disclosed
CN-111132673-A Non-fused tricyclic compounds 维瓦斯治疗公司 2020-05-08 — — CN disclosed
US-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2020-02-27 — — US disclosed
US-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2020-02-27 — — US 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 (3 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-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS YAP1, MYC, TEAD2 FLT1 2930/4885KDR 1806/4885MDM2 296/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 FLT1 2930/4885KDR 1806/4885MDM2 296/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 FLT1 4483/4885KDR 4727/4885MDM2 1334/4885

“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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