SCHEMBL4455693

SCHEMBL4455693

Cc1cc(Cl)ccc1-c1ccccc1NC(=O)c1cn(C)nc1C(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.45
TP53 P04637 2/20 0.45
JAK2 O60674 6/20 0.44
ATM Q13315 1/20 0.43
SUCNR1 Q9BXA5 1/20 0.43
KCNMA1 Q12791 2/20 0.42
JAK1 P23458 4/20 0.42
TYK2 P29597 2/20 0.42
JAK3 P52333 2/20 0.42
LRRK2 Q5S007 2/20 0.42
THRB P10828 1/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL4453773 0.91 KCNMA1 (0.46) POLBTP53JAK2ATMKCNMA1
SCHEMBL121453 0.91 CHRM3 (0.47) POLBTP53JAK2ATMKCNMA1
SCHEMBL29419079 0.91 CHRM3 (0.47) POLBTP53JAK2ATMKCNMA1
SCHEMBL4109482 0.90 CHRM3 (0.49) POLBTP53JAK2ATMKCNMA1
SCHEMBL4453756 0.90 ATM (0.45) POLBTP53JAK2ATMLMNA
SCHEMBL304335 0.89 JAK2 (0.49) POLBTP53JAK2ATMKCNMA1
SCHEMBL121957 0.85 TDP1 (0.53) POLBTP53ATMSUCNR1THRB
SCHEMBL29419144 0.85 TDP1 (0.53) POLBTP53ATMSUCNR1THRB
SCHEMBL303173 0.85 POLB (0.46) POLBJAK2ATMJAK1TYK2
SCHEMBL1086034 0.85 ATM (0.43) POLBTP53JAK2ATMTHRB

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-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides BASF AKTIENGESELLSCHAFT (DE) 2009-02-12 US claimed
US-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides BASF AKTIENGESELLSCHAFT (DE) 2009-02-12 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 (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-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides CBR3, CBR1, SNU13 POLB 3502/4885TP53 2844/4885JAK2 3286/4885

“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.