SCHEMBL20533917

SCHEMBL20533917

Cc1nn2c(N(Cc3ccccc3)C(=O)O)cc(Cl)nc2c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
TSPO P30536 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.36
JAK2 O60674 1/20 0.36
PAX8 Q06710 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL20533673 0.89 PI4KB (0.33) APOBEC3ALMNAGAATDP1CRHR1
SCHEMBL20533891 0.83 MEN1 (0.31) KMT2AMEN1
SCHEMBL20533593 0.83 PDE10A (0.36) ALDH1A1GAA
SCHEMBL20533750 0.82 CRHR1 (0.36) CRHR1
SCHEMBL20533905 0.76 PI4KB (0.33)
SCHEMBL1367808 0.76 POLB (0.35) APOBEC3ASMN1; SMN2TSPOALDH1A1LMNA
SCHEMBL18298197 0.75 CDK7 (0.41) GAA
SCHEMBL20448948 0.72 PI4KB (0.56) APOBEC3ATSHRALDH1A1NPC1HTT
SCHEMBL20689450 0.72 MAPK1 (0.47) SMN1; SMN2TSHRALDH1A1NPC1HTT
SCHEMBL20533572 0.71 MAPT (0.52) SMN1; SMN2TSHRALDH1A1KMT2AMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2018-10-18 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-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors PI4KA, PI4K2B, PI4KB APOBEC3A 3019/4885SMN1; SMN2 4769/4885TSPO 2974/4885

“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.