SCHEMBL21764748

SCHEMBL21764748

N=C(N)c1ccccc1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.47
▸ MAPK8 P45983 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SIRT2 Q8IXJ6 7/20 0.45
▸ TAS2R14 Q9NYV8 5/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ YAP1 P46937 1/20 0.43
▸ TEAD4 Q15561 1/20 0.43
▸ TEAD2 Q15562 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL22571369 0.84 SIRT2 (0.62) RXFP1MAPK8PTGS1SIRT2TAS2R14
SCHEMBL22571345 0.82 SIRT2 (0.42) RXFP1MAPK8PTGS1KDM4EMEN1
Hydrochloric Acid SCHEMBL3718571 0.80 FABP4 (0.55) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL21764767 0.80 RXFP1 (0.43) RXFP1MAPK8PTGS1KDM4EMEN1
SCHEMBL4245559 0.79 MAPK8 (0.67) RXFP1MAPK8PTGS1MEN1ALDH1A1
SCHEMBL1921457 0.79 ALDH1A1 (0.55) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL20553269 0.79 RXFP1 (0.58) RXFP1MAPK8PTGS1MEN1KMT2A
SCHEMBL25279533 0.78 AKR1C3 (0.60) RXFP1MAPK8PTGS1MEN1MAPT
SCHEMBL22556306 0.77 RXFP1 (0.53) RXFP1MAPK8PTGS1GAASIRT2
SCHEMBL21765032 0.76 MAPT (0.69) RXFP1MAPK8KDM4EMEN1MAPT

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 RXFP1 3462/4885MAPK8 1114/4885PTGS1 2350/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 RXFP1 3462/4885MAPK8 1114/4885PTGS1 2350/4885

“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.

Send feedback