SCHEMBL21749245

SCHEMBL21749245

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.60
▸ NPC1 O15118 3/20 0.60
▸ POLB P06746 3/20 0.59
▸ HTT P42858 1/20 0.59
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ ALDH1A1 P00352 3/20 0.51
▸ LMNA P02545 2/20 0.50
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ HPGD P15428 1/20 0.45

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
SCHEMBL25786641 0.93 RAB9A (0.58) RAB9ANPC1POLBHTTMEN1
SCHEMBL21749267 0.88 RAB9A (0.57) RAB9ANPC1POLBHTTMEN1
SCHEMBL20552875 0.86 ABCG2 (0.53) POLBHTTMEN1KMT2AALDH1A1
SCHEMBL20552710 0.85 KDM4E (0.52) RAB9ANPC1HTTMEN1KMT2A
SCHEMBL20552393 0.84 MAPT (0.55) POLBHTTMEN1KMT2AALDH1A1
SCHEMBL20552675 0.84 TP53 (0.52) RAB9ANPC1POLBHTTMEN1
SCHEMBL20552226 0.83 KMT2A (0.50) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL21749252 0.83 TP53 (0.51) RAB9ANPC1POLBHTTMEN1
SCHEMBL21749266 0.82 LMNA (0.47) RAB9ANPC1HTTKMT2AALDH1A1
SCHEMBL20552773 0.82 LMNA (0.47) POLBHTTMEN1KMT2AALDH1A1

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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