SCHEMBL4869992

SCHEMBL4869992

CCC(C)c1c(Cl)nc2ccnn2c1NC(C)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 9/20 0.37
CRHR1 P34998 3/20 0.36
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
IDH1 O75874 4/20 0.32
IDH2 P48735 3/20 0.32
KCNN1 Q92952 1/20 0.32
KCNN2 Q9H2S1 1/20 0.32
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL14280908 0.76 MEN1 (0.32) CDK9
SCHEMBL4873071 0.75 CDK2 (0.47) PDE2A
SCHEMBL13606365 0.75 GBA1 (0.40)
SCHEMBL4866649 0.75
SCHEMBL14280906 0.74
SCHEMBL4874084 0.74 GBA1 (0.39)
SCHEMBL13606364 0.73 KDM4E (0.40) HTR2C
SCHEMBL14280903 0.71
SCHEMBL4875190 0.66 CCNT1 (0.38) KCNN3CRHR1CCNT1CDK9PDE10A
SCHEMBL5226817 0.66 MBOAT4 (0.36) CRHR1IDH1IDH2

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-20080021045-A1 7-Amino-5-Halopyrazolopyrimidines with a Fungicidal Action BAYER CROPSCIENCE AKTIENGESELLSCHSFT (DE) 2008-01-24 US disclosed
US-20080021045-A1 7-Amino-5-Halopyrazolopyrimidines with a Fungicidal Action BAYER CROPSCIENCE AKTIENGESELLSCHSFT (DE) 2008-01-24 US disclosed
US-20080021045-A1 7-Amino-5-Halopyrazolopyrimidines with a Fungicidal Action BAYER CROPSCIENCE AKTIENGESELLSCHSFT (DE) 2008-01-24 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-20080021045-A1 7-Amino-5-Halopyrazolopyrimidines with a Fungicidal Action Q6ZSR9, CYP3A7, CYP4X1 KCNN3 899/4885CRHR1 4399/4885CCNT1 1917/4885

“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.