SCHEMBL5535242

SCHEMBL5535242

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
EGFR P00533 4/20 0.44
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MDM4 O15151 1/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MDM2 Q00987 1/20 0.38
ATM Q13315 1/20 0.38
GPR35 Q9HC97 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
AGTR1 P30556 1/20 0.38
GFER P55789 1/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL5537750 0.89 SMN1; SMN2 (0.46) SMN1; SMN2LMNAEGFRCYP1A2CYP2C9
SCHEMBL22044890 0.85 LMNA (0.42) SMN1; SMN2LMNAEGFRCYP1A2CYP2C9
SCHEMBL29565765 0.82 DAO (0.48) SMN1; SMN2LMNAEGFRCYP1A2CYP2C9
SCHEMBL21990269 0.82 POLB (0.46) SMN1; SMN2LMNAEGFRMEN1KMT2A
SCHEMBL5537363 0.81 L3MBTL1 (0.46) SMN1; SMN2LMNAEGFRCYP1A2CYP2C9
SCHEMBL5536615 0.79 KMT2A (0.47) SMN1; SMN2LMNAHTTALDH1A1MEN1
SCHEMBL5537048 0.76 LMNA (0.44) SMN1; SMN2LMNAEGFRCYP1A2CYP2C9
SCHEMBL21802604 0.75 MAP2K1 (0.45) SMN1; SMN2LMNAEGFRCYP1A2CYP2C9
SCHEMBL5533787 0.74 POLB (0.53) ALDH1A1POLBL3MBTL1
SCHEMBL5534265 0.74 SMN1; SMN2 (0.54) SMN1; SMN2LMNAEGFRCYP1A2CYP2C9

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
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
US-7186716-B2 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. (US) 2007-03-06 US disclosed
EP-1545515-A1 3-PYRROLYL-PYRIDOPYRAZOLES AND 3-PYRROLYL-INDAZOLES AS NOVEL KINASE INHIBITORS Sugen, Inc. (US) 2005-06-29 EP disclosed
US-20040092546-A1 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. 2004-05-13 US disclosed
WO-2004014368-A1 3-PYRROLYL-PYRIDOPYRAZOLES AND 3-PYRROLYL-INDAZOLES AS NOVEL KINASE INHIBITORS SUGEN, INC. (US) 2004-02-19 WO 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-20040092546-A1 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors MAP3K19, MAP3K1, MAP3K7 SMN1; SMN2 3900/4885LMNA 3281/4885EGFR 542/4885
US-20200172521-A1 Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof KRAS, NRAS, RASSF5 SMN1; SMN2 4144/4885LMNA 4198/4885EGFR 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.