SCHEMBL21749307

SCHEMBL21749307

NCCn1nnc(-c2ccccc2Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TAS2R14 Q9NYV8 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ KCNK18 Q7Z418 1/20 0.43
▸ YAP1 P46937 1/20 0.42
▸ TEAD4 Q15561 1/20 0.42
▸ TEAD2 Q15562 1/20 0.42
▸ IDH2 P48735 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ BCDIN3D Q7Z5W3 1/20 0.41
▸ PTK6 Q13882 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
SCHEMBL25786417 0.94 KCNK18 (0.47) MAPTALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL20552652 0.89 ALDH1A1 (0.46) MAPTALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL20552265 0.88 ABCG2 (0.45) MAPTALDH1A1SMN1; SMN2TAS2R14
SCHEMBL20552892 0.87 ALDH1A1 (0.44) MAPTALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL21764708 0.87 ALDH1A1 (0.44) MAPTALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL21749242 0.86 TP53 (0.44) MAPTALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL20552262 0.85 KDM4E (0.52) MAPTALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL20552275 0.84 YAP1 (0.47) MAPTALDH1A1SMN1; SMN2YAP1TEAD4
SCHEMBL25786524 0.83 KCNK18 (0.45) MAPTALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL20553068 0.83 CYP11B1 (0.44) MAPTALDH1A1GAARAB9ASMN1; 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 MAPT 1705/4885ALDH1A1 3497/4885GAA 3437/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 MAPT 1705/4885ALDH1A1 3497/4885GAA 3437/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 MAPT 516/4885ALDH1A1 3323/4885GAA 3205/4885

“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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