SCHEMBL21990269

SCHEMBL21990269

O=C(c1cc(S(=O)(=O)Nc2ccccc2)c[nH]1)c1cccnc1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
GRM4 Q14833 1/20 0.46
EGFR P00533 4/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GPR27 Q9NS67 3/20 0.41
PGR P06401 2/20 0.41
GFER P55789 1/20 0.40
CASP1 P29466 1/20 0.40
ACLY P53396 1/20 0.40
AVPR2 P30518 1/20 0.40
TP53 P04637 1/20 0.40
LIMK2 P53671 1/20 0.40

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
SCHEMBL5536615 0.84 KMT2A (0.47) POLBLMNASMN1; SMN2MEN1KMT2A
SCHEMBL5537750 0.82 SMN1; SMN2 (0.46) POLBEGFRLMNASMN1; SMN2MEN1
SCHEMBL5535242 0.82 SMN1; SMN2 (0.46) POLBEGFRLMNASMN1; SMN2MEN1
SCHEMBL29565765 0.80 DAO (0.48) POLBGRM4EGFRLMNASMN1; SMN2
SCHEMBL22044890 0.78 LMNA (0.42) POLBEGFRLMNASMN1; SMN2MEN1
SCHEMBL21802611 0.75 LIMK2 (0.50) GRM4SMN1; SMN2MEN1KMT2APGR
SCHEMBL5537363 0.74 L3MBTL1 (0.46) POLBGRM4EGFRLMNASMN1; SMN2
SCHEMBL21802604 0.71 MAP2K1 (0.45) POLBEGFRLMNASMN1; SMN2MEN1
SCHEMBL12468392 0.70 MEN1 (0.53) POLBGRM4LMNAMEN1KMT2A
SCHEMBL5537048 0.70 LMNA (0.44) POLBEGFRLMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110869369-B Five-membered and six-membered nitrogen heteroaromatic ring compound, preparation method thereof, medicinal composition and application thereof 厦门大学 2022-06-28 CN disclosed
US-11292787-B2 Five-membered-fused-six-membered aza-aromatic ring compound, preparation method thereof, pharmaceutical composition and application thereof XIAMEN UNIVERSITY (CN) 2022-04-05 US disclosed
US-20200172521-A1 Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof Amcure Biosciences Pte. Ltd. (SG) 2020-06-04 US disclosed
CN-110869369-A Five-membered and six-membered nitrogen heteroaromatic ring compound, preparation method thereof, medicinal composition and application thereof 厦门大学 2020-03-06 CN 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-20200172521-A1 Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof KRAS, NRAS, RASSF5 POLB 3970/4885GRM4 4376/4885EGFR 641/4885
US-11292787-B2 Five-membered-fused-six-membered aza-aromatic ring compound, preparation method thereof, pharmaceutical composition and application thereof KRAS, NRAS, RASSF5 POLB 3970/4885GRM4 4376/4885EGFR 641/4885

“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.