SCHEMBL2880067

SCHEMBL2880067

CSc1nc(-c2ccc(-c3cccc(NC(C)=O)c3)cc2)cc2c(Br)cnn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
CSNK2A1 P68400 2/20 0.44
FYN P06241 9/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.42
STAT1 P42224 1/20 0.42
CYP17A1 P05093 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PIP4K2A P48426 1/20 0.41
PIP4K2B P78356 1/20 0.41

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
SCHEMBL2882294 0.83 FYN (0.48) SMN1; SMN2ALDH1A1KDM4ECSNK2A1FYN
SCHEMBL2212033 0.83 FYN (0.44) SMN1; SMN2ALDH1A1KDM4EFYNMEN1
SCHEMBL2882015 0.81 CYP17A1 (0.47) SMN1; SMN2ALDH1A1KDM4EFYNNPC1
SCHEMBL2881754 0.79 MAPT (0.39) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL2884265 0.76 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1KDM4ECSNK2A1NPC1
SCHEMBL2880093 0.76 RAD52 (0.48) SMN1; SMN2ALDH1A1KDM4EFYNNPC1
SCHEMBL2212453 0.75 POLB (0.45) ALDH1A1KDM4ECSNK2A1FYNRAB9A
SCHEMBL2319146 0.70 FYN (0.51) SMN1; SMN2ALDH1A1KDM4EFYNNPC1
SCHEMBL969807 0.69 RAB9A (0.65) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL6670281 0.68 HTR2A (0.71) SMN1; SMN2ALDH1A1KDM4EFYNNPC1

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-7745446-B2 Pyrazolo[1,5-c]pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-29 US disclosed
US-20070254046-A1 Novel Pyrazolopyrimidines ALTANA PHARMA AG (DE) 2007-11-01 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-20070254046-A1 Novel Pyrazolopyrimidines MCL1, RARS2, CDK4 SMN1; SMN2 1421/4885ALDH1A1 1334/4885KDM4E 3784/4885

“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.