SCHEMBL21749289

SCHEMBL21749289

OCCn1cc(-c2ccccc2Nc2cccc(C(F)(F)F)c2)cn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 7/20 0.50
▸ FGFR1 P11362 1/20 0.48
▸ DDR2 Q16832 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ AXL P30530 2/20 0.46
▸ TYRO3 Q06418 2/20 0.46
▸ MERTK Q12866 2/20 0.46
▸ YAP1 P46937 1/20 0.46
▸ TEAD4 Q15561 1/20 0.46
▸ TEAD2 Q15562 1/20 0.46
▸ PDK1 Q15118 1/20 0.45
▸ PDK3 Q15120 1/20 0.45

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
SCHEMBL20551821 0.89 PDK2 (0.52) PDK2FGFR1DDR2ALDH1A1GAA
SCHEMBL21764712 0.87 PDK2 (0.50) PDK2AXLTYRO3MERTKPDK1
SCHEMBL25786706 0.87 PDK2 (0.43) PDK2FGFR1DDR2AXLTYRO3
SCHEMBL21765002 0.86 ALDH1A1 (0.42) FGFR1DDR2ALDH1A1GAAMAPT
SCHEMBL20553196 0.82 GRIN1 (0.45) PDK2FGFR1DDR2YAP1TEAD4
SCHEMBL20552120 0.82 YAP1 (0.46) FGFR1DDR2ALDH1A1GAAMAPT
SCHEMBL20553228 0.81 ALDH1A1 (0.46) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL20552230 0.81 ALDH1A1 (0.45) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL21749308 0.79 ALDH1A1 (0.46) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL20552652 0.79 ALDH1A1 (0.46) ALDH1A1GAAMAPTRAB9ASMN1; SMN2

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 PDK2 267/4885FGFR1 780/4885DDR2 1197/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 PDK2 267/4885FGFR1 780/4885DDR2 1197/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 PDK2 3742/4885FGFR1 1871/4885DDR2 4853/4885

“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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