SCHEMBL4445707

SCHEMBL4445707

Cn1cc(C(=O)Nc2ccccc2-c2ccc(Cl)cc2Cl)c(C(F)Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.46
JAK2 O60674 7/20 0.42
JAK1 P23458 5/20 0.42
TYK2 P29597 2/20 0.42
JAK3 P52333 2/20 0.42
LRRK2 Q5S007 2/20 0.42
KCNMA1 Q12791 2/20 0.42
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
ATM Q13315 1/20 0.41
NPC1 O15118 1/20 0.41
NTRK1 P04629 1/20 0.40
FYN P06241 1/20 0.40
CYP3A4 P08684 1/20 0.40
ROS1 P08922 1/20 0.40
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 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
SCHEMBL121453 0.93 CHRM3 (0.47) CHRM3JAK2JAK1TYK2JAK3
SCHEMBL29419079 0.93 CHRM3 (0.47) CHRM3JAK2JAK1TYK2JAK3
SCHEMBL4921835 0.86 SSTR2 (0.44) CHRM3JAK2JAK1TYK2JAK3
SCHEMBL4918770 0.85 CHRM3 (0.50) CHRM3ATMNTRK1MAPK1
SCHEMBL304335 0.85 JAK2 (0.49) CHRM3JAK2JAK1TYK2JAK3
SCHEMBL4453773 0.85 KCNMA1 (0.46) CHRM3JAK2JAK1TYK2JAK3
SCHEMBL29391140 0.85 CHRM3 (0.46) CHRM3JAK2JAK1KCNMA1ALDH1A1
SCHEMBL1134840 0.85 CHRM3 (0.46) CHRM3JAK2JAK1KCNMA1ALDH1A1
SCHEMBL4448831 0.84 ATM (0.59) CHRM3JAK2JAK1TYK2JAK3
SCHEMBL4920485 0.84 CHRM3 (0.46) CHRM3JAK2JAK1TYK2JAK3

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 3 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-20080153707-A1 Pyrazolecarboxanilides, Process for Their Preparation and Compositions Comprising Them for Controlling Harmful Fungi BASF AKITENGESELLSCHAFT (DE) 2008-06-26 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 (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-20080153707-A1 Pyrazolecarboxanilides, Process for Their Preparation and Compositions Comprising Them for Controlling Harmful Fungi CBR3, C1S, PYM1 CHRM3 222/4885JAK2 2890/4885JAK1 2693/4885
US-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides CBR3, CBR1, SNU13 CHRM3 766/4885JAK2 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.