SCHEMBL20552230

SCHEMBL20552230

Cc1nn(CCO)cc1-c1ccccc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ YAP1 P46937 1/20 0.44
▸ TEAD4 Q15561 1/20 0.44
▸ TEAD2 Q15562 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ DHODH Q02127 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RECQL P46063 1/20 0.41
▸ BCDIN3D Q7Z5W3 1/20 0.41
▸ IDH2 P48735 1/20 0.41
▸ NPY5R Q15761 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL20551995 0.89 YAP1 (0.47) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL20552661 0.88 BRAF (0.42) GAAMAPTRAB9AYAP1DHODH
SCHEMBL21749293 0.83 CACNA1B (0.44) YAP1TEAD4TEAD2LMNARXFP1
SCHEMBL21749237 0.83 ALDH1A1 (0.44) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL20552120 0.82 YAP1 (0.46) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL25786909 0.82 GAA (0.36) ALDH1A1GAAMAPTYAP1LMNA
SCHEMBL21749289 0.81 PDK2 (0.50) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL21749308 0.80 ALDH1A1 (0.46) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL20553228 0.80 ALDH1A1 (0.46) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL20552652 0.77 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 8 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
EP-3618818-A1 NON-FUSED TRICYCLIC COMPOUNDS Vivace Therapeutics, Inc. (US) 2020-03-11 — — EP 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
WO-2018204532-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2018-11-08 — — 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 (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 ALDH1A1 3497/4885GAA 3437/4885MAPT 1705/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 ALDH1A1 3497/4885GAA 3437/4885MAPT 1705/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 ALDH1A1 3323/4885GAA 3205/4885MAPT 516/4885

“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