SCHEMBL21749267

SCHEMBL21749267

O=C(Cn1nnc(-c2ccccc2Nc2ccc(OC(F)(F)F)cc2)n1)N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ POLB P06746 3/20 0.55
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ HTT P42858 1/20 0.49
▸ MAPT P10636 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ LMNA P02545 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46

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
SCHEMBL21749245 0.88 RAB9A (0.60) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL20552398 0.87 MAPT (0.52) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL25786641 0.86 RAB9A (0.58) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL20553212 0.84 LMNA (0.54) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL20552904 0.83 MAPT (0.51) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL20552250 0.83 LMNA (0.52) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL20552248 0.82 LMNA (0.51) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL20553560 0.81 ABL1 (0.45) POLBMAPTSMN1; SMN2LMNA
SCHEMBL25786399 0.80 TSHR (0.49) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL20552758 0.78 ABL1 (0.49) MEN1KMT2AALDH1A1MAPTGAA

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 RAB9A 953/4885NPC1 1229/4885POLB 2074/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 RAB9A 953/4885NPC1 1229/4885POLB 2074/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 RAB9A 1922/4885NPC1 2127/4885POLB 825/4885

“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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