SCHEMBL21887555

SCHEMBL21887555

CS(=O)(=O)NC(=O)Cc1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.46
EGFR P00533 13/20 0.46
ERBB2 P04626 12/20 0.46
ALDH1A1 P00352 1/20 0.44
CNR2 P34972 1/20 0.44
DHFR P00374 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PCNA P12004 1/20 0.43
CXCL8 P10145 1/20 0.41
GLS O94925 1/20 0.41

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
SCHEMBL31023859 0.84 LMNA (0.51) EGFRERBB2PCNA
SCHEMBL4572811 0.83 PLA2G10 (0.44) ALDH1A1DHFRTSHRSMN1; SMN2TDP1
SCHEMBL17127746 0.82 EGFR (0.68) EGFRERBB2SMN1; SMN2
SCHEMBL16446138 0.81 MEN1 (0.57) PDE4BEGFRERBB2ALDH1A1CNR2
SCHEMBL3978340 0.80 EGFR (0.42) EGFRERBB2ALDH1A1CNR2DHFR
SCHEMBL7697158 0.79 EGFR (0.67) EGFRERBB2ALDH1A1SMN1; SMN2TDP1
SCHEMBL26163119 0.78 EGFR (0.43) PDE4BEGFRERBB2TDP1PCNA
SCHEMBL1632446 0.77 LMNA (0.51) ALDH1A1CNR2TSHRTDP1GLS
SCHEMBL21887012 0.77 ALDH1A1 (0.55) ALDH1A1
SCHEMBL3975407 0.77 EGFR (0.73) EGFRERBB2ALDH1A1

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-20210340146-A1 PYRAZOLOPYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG SUZHOU RAYMON PHARMACEUTICALS COMPANY LTD (CN) 2021-11-04 US disclosed
WO-2020063636-A1 PYRAZOLOPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG 苏州锐明新药研发有限公司 2020-04-02 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 (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-20210340146-A1 PYRAZOLOPYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG PIK3CA, PIK3CD, PIK3R5 PDE4B 322/4885EGFR 2362/4885ERBB2 1200/4885

“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.