SCHEMBL21749270

SCHEMBL21749270

Cn1nc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)nc1CCO

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.41
▸ JAK3 P52333 4/20 0.41
▸ PTK2 Q05397 3/20 0.41
▸ TAS2R14 Q9NYV8 1/20 0.38
▸ BCDIN3D Q7Z5W3 7/20 0.37
▸ ABCG2 Q9UNQ0 3/20 0.36
▸ BRAF P15056 1/20 0.36
▸ KCNH3 Q9ULD8 1/20 0.35
▸ TEAD1 P28347 1/20 0.35
▸ TEAD4 Q15561 1/20 0.35
▸ TEAD2 Q15562 1/20 0.35
▸ ABCB1 P08183 1/20 0.35

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
SCHEMBL25787980 0.92 JAK2 (0.33) JAK2JAK3PTK2TAS2R14BCDIN3D
SCHEMBL20553223 0.81 DHODH (0.42) ABCG2ABCB1
SCHEMBL20552244 0.81 JAK2 (0.39) JAK2JAK3PTK2TAS2R14BCDIN3D
SCHEMBL20552425 0.80 TEAD1 (0.38) JAK2JAK3PTK2BCDIN3DBRAF
SCHEMBL20552512 0.78 TEAD1 (0.38) JAK2JAK3PTK2TAS2R14BCDIN3D
SCHEMBL20552323 0.78 PKM (0.37) JAK2JAK3PTK2BCDIN3DBRAF
SCHEMBL20552643 0.76 ABCG2 (0.47) TAS2R14ABCG2ABCB1
SCHEMBL20552347 0.75 ABCG2 (0.46) TAS2R14ABCG2ABCB1
SCHEMBL21764978 0.74 JAK2 (0.36) JAK2JAK3PTK2TAS2R14BRAF
SCHEMBL25787985 0.74 JAK2 (0.33) JAK2JAK3PTK2TAS2R14BCDIN3D

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 JAK2 1879/4885JAK3 3012/4885PTK2 380/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 JAK2 1879/4885JAK3 3012/4885PTK2 380/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 JAK2 4672/4885JAK3 4440/4885PTK2 4695/4885

“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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