SCHEMBL4453773

SCHEMBL4453773

Cn1cc(C(=O)Nc2ccccc2-c2ccc(Cl)cc2F)c(C(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.46
JAK2 O60674 6/20 0.42
JAK1 P23458 5/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
CHRM3 P20309 3/20 0.42
TYK2 P29597 2/20 0.42
JAK3 P52333 2/20 0.42
LRRK2 Q5S007 2/20 0.42
POLB P06746 2/20 0.42
ATM Q13315 1/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 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
SCHEMBL4109482 0.93 CHRM3 (0.49) KCNMA1JAK2JAK1CHRM3TYK2
SCHEMBL121453 0.92 CHRM3 (0.47) KCNMA1JAK2JAK1RAB9ANPC1
SCHEMBL29419079 0.92 CHRM3 (0.47) KCNMA1JAK2JAK1RAB9ANPC1
SCHEMBL4455693 0.91 POLB (0.45) KCNMA1JAK2JAK1RAB9ASMN1; SMN2
SCHEMBL304335 0.90 JAK2 (0.49) KCNMA1JAK2JAK1RAB9ACHRM3
SCHEMBL302442 0.90 CHRM3 (0.48) RAB9ANPC1CHRM3POLBATM
SCHEMBL304006 0.88 ATM (0.47) RAB9ASMN1; SMN2NPC1CHRM3ATM
SCHEMBL18128302 0.88 RAB9A (0.42) KCNMA1JAK2RAB9ASMN1; SMN2NPC1
SCHEMBL4450127 0.88 ATM (0.57) KCNMA1JAK2JAK1RAB9ASMN1; SMN2
SCHEMBL29445380 0.87 CHRM3 (0.47) CHRM3ATMMEN1KMT2ALMNA

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 KCNMA1 1327/4885JAK2 3286/4885JAK1 3546/4885

“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.