SCHEMBL21749295

SCHEMBL21749295

CN(C)CCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 10/20 0.43
▸ ABCB1 P08183 2/20 0.43
▸ DDX3X O00571 1/20 0.41
▸ TAS2R14 Q9NYV8 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL21749296 0.94 DDX3X (0.43) ABCG2ABCB1DDX3XTAS2R14MAPT
SCHEMBL20552626 0.90 ABCG2 (0.39) ABCG2ABCB1DDX3XTAS2R14MAPT
SCHEMBL21749294 0.88 MAPT (0.42) ABCG2DDX3XMAPTSMN1; SMN2LMNA
SCHEMBL21749269 0.86 ABCG2 (0.46) ABCG2ABCB1DDX3XTAS2R14MAPT
SCHEMBL25786701 0.86 SMN1; SMN2 (0.41) ABCG2DDX3XMAPTSMN1; SMN2LMNA
SCHEMBL20552969 0.86 ABCG2 (0.43) ABCG2ABCB1DDX3XTAS2R14MAPT
SCHEMBL25787257 0.86 DDX3X (0.55) ABCG2ABCB1DDX3XTAS2R14MAPT
SCHEMBL20552265 0.85 ABCG2 (0.45) ABCG2ABCB1DDX3XTAS2R14MAPT
SCHEMBL20552643 0.85 ABCG2 (0.47) ABCG2ABCB1DDX3XTAS2R14MAPT
SCHEMBL20552624 0.85 ABCG2 (0.47) ABCG2ABCB1DDX3XTAS2R14MAPT

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 ABCG2 3004/4885ABCB1 1774/4885DDX3X 695/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 ABCG2 3004/4885ABCB1 1774/4885DDX3X 695/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 ABCG2 2217/4885ABCB1 1588/4885DDX3X 1986/4885

“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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