SCHEMBL863903

SCHEMBL863903

Cc1cccc2cc(C(C)NC(=O)OC(C)(C)C)c(Cl)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 4/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38
LCK P06239 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
MCL1 Q07820 1/20 0.38
TRPA1 O75762 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
SCHEMBL713467 1.00 TSHR (0.43) TSHRHSD17B10SMN1; SMN2TP53AAK1
SCHEMBL21445289 0.90 TP53 (0.42) TSHRHSD17B10SMN1; SMN2TP53AAK1
SCHEMBL844461 0.84 MAPT (0.46) HSD17B10SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL721701 0.81 KDR (0.41) SMN1; SMN2KMT2AMEN1MAPTNPC1
SCHEMBL721702 0.81 KDR (0.41) SMN1; SMN2KMT2AMEN1MAPTNPC1
SCHEMBL722794 0.81 TSHR (0.46) TSHRHSD17B10SMN1; SMN2AAK1ATM
SCHEMBL863611 0.79 PIK3CD (0.41) TSHRHSD17B10AAK1
SCHEMBL718034 0.79 MEN1 (0.41) TSHRHSD17B10SMN1; SMN2TP53KMT2A
SCHEMBL1886928 0.77 DRD4 (0.55) GAALMNAATMPOLBMAPK1
SCHEMBL2115559 0.76 MAPT (0.43) SMN1; SMN2KMT2AMEN1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396315-B1 QUINOLINE DERIVATIVES AS PI3K KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-08-31 EP disclosed
US-8513284-B2 Fused pyridine and pyrazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2013-08-20 US disclosed
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-03-29 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-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors PDPK1, PDXK, PIK3CA TSHR 2738/4885HSD17B10 4092/4885SMN1; SMN2 2993/4885

“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.