SCHEMBL21802604

SCHEMBL21802604

COC(=O)c1c[nH]c(C(=O)c2cccnc2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.45
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 2/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 7/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
POLB P06746 3/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
EGFR P00533 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
SCHEMBL5543840 0.87 LMNA (0.46) LMNASMN1; SMN2HTTALDH1A1CYP1A2
SCHEMBL10942225 0.82 ALDH1A1 (0.60) LMNAALDH1A1GAABAZ2BBAZ2A
SCHEMBL22044890 0.79 LMNA (0.42) LMNASMN1; SMN2HTTALDH1A1CYP1A2
SCHEMBL5533787 0.79 POLB (0.53) ALDH1A1POLB
SCHEMBL10937651 0.78 ALDH1A1 (0.62) LMNASMN1; SMN2HTTALDH1A1CYP1A2
SCHEMBL10937230 0.76 MAPK14 (0.58) LMNAALDH1A1GAABAZ2BBAZ2A
SCHEMBL624343 0.76 LMNA (0.61) MAP2K1LMNASMN1; SMN2CYP1A2CYP2C9
SCHEMBL29412879 0.76 LMNA (0.61) MAP2K1LMNASMN1; SMN2CYP1A2CYP2C9
SCHEMBL5311108 0.76 ALDH1A1 (0.68) LMNASMN1; SMN2HTTALDH1A1GAA
SCHEMBL10939744 0.75 HTT (0.61) LMNASMN1; SMN2HTTALDH1A1CYP1A2

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 5 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
EP-3626718-A1 FIVE- AND SIX-MEMBERED AZA-AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND APPLICATION Xiamen University (CN) 2020-03-25 EP 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 MAP2K1 737/4885LMNA 4198/4885SMN1; SMN2 4144/4885
US-11292787-B2 Five-membered-fused-six-membered aza-aromatic ring compound, preparation method thereof, pharmaceutical composition and application thereof KRAS, NRAS, RASSF5 MAP2K1 737/4885LMNA 4198/4885SMN1; SMN2 4144/4885

“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.