SCHEMBL21654543

SCHEMBL21654543

O=S(=O)(Nc1nnc(Cc2cccc(Br)c2)o1)c1ccc(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 1/20 0.41
MAPT P10636 2/20 0.40
THRB P10828 2/20 0.39
PTGER1 P34995 1/20 0.38
PTK2 Q05397 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
FBP1 P09467 1/20 0.37
BRD4 O60885 3/20 0.36
CCR4 P51679 1/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35
CCR2 P41597 1/20 0.34

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
SCHEMBL21654818 0.73 PTK2 (0.45) MAPTTHRBPTGER1PTK2POLB
SCHEMBL21654664 0.72 MAPT (0.56) MAPTTHRBPOLBLMNATP53
SCHEMBL21654642 0.71 PTK2 (0.45) MAPTTHRBPTGER1PTK2EGFR
SCHEMBL21654812 0.70 PTK2 (0.42) MAPTTHRBPTGER1PTK2POLB
SCHEMBL21654596 0.69 PTK2 (0.40) MAPTTHRBPTGER1PTK2POLB
SCHEMBL21654607 0.68 PTK2 (0.40) MAPTTHRBPTGER1PTK2POLB
SCHEMBL21654704 0.67 PTK2 (0.39) MAPTTHRBPTGER1PTK2POLB
SCHEMBL12614270 0.65 STAT3 (0.56) MAPTTHRBPOLBLMNAKMT2A
SCHEMBL22447441 0.64 SLC22A12 (0.55) PFKFB3CA1CA2CA7CA9
SCHEMBL21654537 0.64 PTK2 (0.44) THRBPTK2ERBB2POLBLMNA

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-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient INSTITUT PASTEUR KOREA (KR) 2021-10-19 US disclosed
US-20200031816-A1 NOVEL HETEROARYL COMPOUND, ENANTIOMER, DIASTEREOMER OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND ANTIVIRAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ST PHARM CO., LTD. (KR) 2020-01-30 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 (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-20200031816-A1 NOVEL HETEROARYL COMPOUND, ENANTIOMER, DIASTEREOMER OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND ANTIVIRAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ZC3HAV1, ZC3HAV1L, HAVCR2 PFKFB3 4142/4885MAPT 3619/4885THRB 3206/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 PFKFB3 4206/4885MAPT 3439/4885THRB 3183/4885

“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.