SCHEMBL20533919

SCHEMBL20533919

COc1ccc(-c2c(C)nn3c(N(Cc4ccnc(C)c4)C(=O)O)cc(Cl)nc23)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.49
MAPT P10636 12/20 0.46
ALDH1A1 P00352 3/20 0.45
TP53 P04637 2/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.43
CASP1 P29466 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
ATM Q13315 1/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL20533572 0.89 MAPT (0.52) CRHR1MAPTALDH1A1TP53HPGD
SCHEMBL20533686 0.84 SMPD3 (0.46) CRHR1MAPTALDH1A1TP53HPGD
SCHEMBL20533673 0.80 PI4KB (0.33) CRHR1GAALMNAL3MBTL1
SCHEMBL20534207 0.78 PI4KB (0.58) CRHR1MAPTALDH1A1TP53HPGD
SCHEMBL21177600 0.74 ACLY (0.38) CRHR1MAPTALDH1A1TP53HPGD
SCHEMBL20533724 0.72 MAPT (0.59) CRHR1MAPTALDH1A1TP53HPGD
SCHEMBL20533569 0.70 CRHR1 (0.44) CRHR1MAPTALDH1A1TP53HPGD
SCHEMBL20533917 0.69 APOBEC3A (0.39) CRHR1MAPTALDH1A1HPGDGAA
SCHEMBL23012202 0.69 PI4KB (0.38) CRHR1MAPTALDH1A1TP53HPGD
SCHEMBL29715036 0.69 PI4KB (0.38) CRHR1MAPTALDH1A1TP53HPGD

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 CRHR1 4351/4885MAPT 2367/4885ALDH1A1 3654/4885

“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.