SCHEMBL21764708

SCHEMBL21764708

CNCCn1nnc(-c2ccccc2Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KCNK18 Q7Z418 1/20 0.44
▸ TAS2R14 Q9NYV8 1/20 0.43
▸ YAP1 P46937 1/20 0.43
▸ TEAD4 Q15561 1/20 0.43
▸ TEAD2 Q15562 1/20 0.43
▸ IDH2 P48735 2/20 0.42
▸ ADORA2A P29274 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ PTK6 Q13882 1/20 0.39

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
SCHEMBL25786524 0.94 KCNK18 (0.45) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL20552969 0.88 ABCG2 (0.43) ALDH1A1MAPTSMN1; SMN2TAS2R14TP53
SCHEMBL21749307 0.87 MAPT (0.49) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL20552652 0.87 ALDH1A1 (0.46) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL20552415 0.87 YAP1 (0.47) YAP1TEAD4TEAD2RXFP1
SCHEMBL20553068 0.87 CYP11B1 (0.44) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL21749242 0.87 TP53 (0.44) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL20552892 0.85 ALDH1A1 (0.44) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL25786417 0.83 KCNK18 (0.47) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL20552275 0.82 YAP1 (0.47) ALDH1A1MAPTSMN1; SMN2YAP1TEAD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186554-B2 Non-fused tricyclic compounds VIVACE THERAPEUTICS, INC. (US) 2021-11-30 — — 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 (2 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 ALDH1A1 3497/4885GAA 3437/4885MAPT 1705/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 ALDH1A1 3497/4885GAA 3437/4885MAPT 1705/4885

“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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