SCHEMBL4455890

SCHEMBL4455890

Cn1cc(C(=O)Nc2c(F)cccc2Br)c(C(F)C(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
DHODH Q02127 16/20 0.40
KMT2A Q03164 1/20 0.39
EGFR P00533 1/20 0.38
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 1/20 0.38

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
SCHEMBL973238 0.91 ATM (0.47) ATMDHODHKMT2AEGFRSTIM1
SCHEMBL973104 0.81 LMNA (0.56) ATMDHODH
SCHEMBL4477674 0.79 CHRNA7 (0.42) DHODHEGFR
SCHEMBL3387363 0.79 ATM (0.47) ATMDHODHKMT2AEGFR
SCHEMBL4455883 0.78 LMNA (0.45) ATMDHODH
SCHEMBL28350646 0.77 KMT2A (0.43) DHODHKMT2AEGFRSTIM1ORAI1
SCHEMBL972255 0.77 EGFR (0.48) DHODHEGFR
SCHEMBL2474435 0.76 LMNA (0.46) ATMDHODHEGFR
SCHEMBL3685890 0.74 HTT (0.43) DHODHKMT2ASTIM1ORAI1
SCHEMBL31475430 0.74 ATM (0.69) ATMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100503577-C Disubstituted pyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2009-06-24 CN disclosed
US-7521397-B2 Disubstituted pyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2009-04-21 US disclosed
US-7329633-B2 Disubstituted pyrazolylcarboxanilides BAYER CROPSCIENCE AG (DE) 2008-02-12 US disclosed
US-20080015244-A1 Disubstituted pyrazolyl carboxanilides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-01-17 US disclosed
US-20060116414-A1 Disubstituted pyrazolyl carboxanilides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-06-01 US disclosed
CN-1646494-A Disubstituted pyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2005-07-27 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-20060116414-A1 Disubstituted pyrazolyl carboxanilides MRPL21, RRS1, CBR3 ATM 1894/4885DHODH 1446/4885KMT2A 2969/4885
US-20080015244-A1 Disubstituted pyrazolyl carboxanilides MRPL21, CBR3, CBR1 ATM 1622/4885DHODH 884/4885KMT2A 2905/4885

“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.