SCHEMBL4874084

SCHEMBL4874084

CCC(C)c1c(Cl)nc2c(C(C)=O)cnn2c1NC(C)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.35
ALDH1A1 P00352 3/20 0.33
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 2/20 0.31
HKDC1 Q2TB90 1/20 0.30
POLB P06746 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
BLM P54132 1/20 0.30
CASP7 P55210 1/20 0.30

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
SCHEMBL13606365 0.93 GBA1 (0.40) GBA1MEN1KMT2ALMNAALDH1A1
SCHEMBL13606364 0.90 KDM4E (0.40) GBA1MEN1KMT2ALMNAALDH1A1
SCHEMBL14280908 0.86 MEN1 (0.32) GBA1MEN1KMT2A
SCHEMBL4866649 0.82
SCHEMBL4873071 0.80 CDK2 (0.47) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14280906 0.80
SCHEMBL4513969 0.79 GBA1 (0.40) GBA1MEN1KMT2AALDH1A1TP53
SCHEMBL13606367 0.79 GBA1 (0.40) GBA1MEN1KMT2AALDH1A1TP53
SCHEMBL14280903 0.77
SCHEMBL13606366 0.76 HTR2C (0.39) GBA1MEN1KMT2AALDH1A1TP53

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 GBA1 1802/4885MEN1 4357/4885KMT2A 1970/4885

“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.