SCHEMBL20533906

SCHEMBL20533906

COc1ccc(-c2c(C)nn3c(NCc4cc(C)nn4C)cc(N4CC(F)(F)C4)nc23)cc1OC(F)F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 5/20 0.45
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ATM Q13315 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MAPT P10636 8/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CRHR1 P34998 2/20 0.39
SMPD3 Q9NY59 1/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL20533571 0.95 PI4KB (0.50) PI4KBKMT2AMEN1ATMCRHBP
SCHEMBL20533758 0.91 PI4KB (0.47) PI4KBKMT2AMEN1ATMCRHBP
SCHEMBL20533928 0.87 PI4KB (0.48) PI4KBKMT2AMEN1ATMCRHBP
SCHEMBL20534224 0.86 SMPD3 (0.45) PI4KBKMT2AMEN1ATMCRHBP
SCHEMBL20533927 0.85 PI4KB (0.52) PI4KBKMT2AMEN1ATMCRHBP
SCHEMBL20533759 0.83 PI4KB (0.38) PI4KBMAPTLMNAALDH1A1HPGD
SCHEMBL20533672 0.82 CRHR1 (0.40) KMT2AMEN1ATMCRHBPCRHR2
SCHEMBL20533549 0.80 SMPD3 (0.50) PI4KBKMT2AMEN1ATMCRHBP
SCHEMBL20534222 0.78 PI4KB (0.45) PI4KBKMT2AMEN1ATMCRHBP
SCHEMBL20533569 0.76 CRHR1 (0.44) KMT2AMEN1ATMCRHBPCRHR2

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 PI4KB 3/4885KMT2A 2326/4885MEN1 3280/4885

“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.