SCHEMBL20533583

SCHEMBL20533583

COc1ccc(-c2c(C)nn3c(NCc4cc(C)nn4C)cc(N4CCN(C(C)=O)CC4)nc23)cc1S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 9/20 0.45
SMPD3 Q9NY59 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 6/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 2/20 0.38
CASP1 P29466 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL20533549 0.91 SMPD3 (0.50) PI4KBSMPD3MEN1KMT2AATM
SCHEMBL20534224 0.88 SMPD3 (0.45) PI4KBSMPD3MEN1KMT2AATM
SCHEMBL20533928 0.86 PI4KB (0.48) PI4KBMEN1KMT2AATMMAPT
SCHEMBL20533915 0.86 PI4KB (0.45) PI4KBSMPD3MEN1KMT2AATM
SCHEMBL20533595 0.85 PI4KB (0.61) PI4KBSMPD3MAPTSMN1; SMN2ALDH1A1
SCHEMBL20534222 0.85 PI4KB (0.45) PI4KBMEN1KMT2AATMMAPT
SCHEMBL20534146 0.84 SMPD3 (0.40) PI4KBSMPD3MEN1KMT2AATM
SCHEMBL20533594 0.83 ALDH1A1 (0.36) PI4KBSMPD3MAPTHSD17B10LMNA
SCHEMBL20533747 0.80 PI4KB (0.63) PI4KBSMPD3MEN1KMT2AATM
SCHEMBL20533904 0.79 PI4KB (0.60) PI4KBMEN1KMT2AMAPTLMNA

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 3/4885SMPD3 2463/4885MEN1 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.