SCHEMBL27203447

SCHEMBL27203447

CNc1cc(Cl)nc2c(C(=O)O)c(N)nn12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TYK2 P29597 4/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ ADCY10 Q96PN6 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ AHR P35869 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ GSK3B P49841 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ GRIA1 P42261 1/20 0.30
▸ GRIA2 P42262 1/20 0.30
▸ GRIA3 P42263 1/20 0.30
▸ GRIA4 P48058 1/20 0.30

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
SCHEMBL27203455 0.84 ADORA2A (0.43) SMN1; SMN2ALDH1A1MAPK1MAPTADORA2A
SCHEMBL29112547 0.81 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1MAPK1ADCY10MAPT
SCHEMBL22342896 0.73 KDM4E (0.50) TYK2
SCHEMBL29112569 0.70 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1ADCY10MAPTNPC1
SCHEMBL15307047 0.70 KDM4E (0.53) SMN1; SMN2ALDH1A1MAPK1HTR6MAPT
SCHEMBL21947188 0.69 TYK2 (0.61) TYK2
SCHEMBL27203449 0.68 ADORA2A (0.47) SMN1; SMN2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL29112572 0.68 MAPT (0.32) MAPT
SCHEMBL21313032 0.67 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1MAPK1MAPTNPC1
SCHEMBL29112561 0.66 TDP1 (0.30) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132517-A1 MACROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF GOHARMONY THERAPEUTICS (SHENZHEN) CO., LTD. (CN) 2024-04-25 — — 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 (1 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-20240132517-A1 MACROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF SRC, FLT3, BRAF SMN1; SMN2 2368/4885ALDH1A1 4014/4885MAPK1 188/4885

“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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