SCHEMBL863469

SCHEMBL863469

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2nc1NC[C@H]1CCCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.45
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 7/20 0.42
LMNA P02545 7/20 0.42
HTT P42858 6/20 0.42
HSD17B10 Q99714 5/20 0.42
MAPK1 P28482 4/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
ALOX15 P16050 1/20 0.42
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
TNK2 Q07912 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 3/20 0.40
USP2 O75604 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 2/20 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
SCHEMBL863947 1.00 PIK3CD (0.45) PIK3CDALDH1A1KDM4ELMNAHTT
SCHEMBL863470 1.00 PIK3CD (0.45) PIK3CDALDH1A1KDM4ELMNAHTT
SCHEMBL863330 0.82 PIK3CD (0.50) PIK3CD
SCHEMBL863329 0.82 PIK3CD (0.50) PIK3CD
SCHEMBL863494 0.82 PIK3CD (0.44) PIK3CD
SCHEMBL863495 0.82 PIK3CD (0.44) PIK3CD
SCHEMBL864803 0.81 PIK3CD (0.49) PIK3CDKDM4EAURKARPS6KB1
SCHEMBL864804 0.81 PIK3CD (0.49) PIK3CDKDM4EAURKARPS6KB1
SCHEMBL15184823 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAHTTHSD17B10
SCHEMBL15184822 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAHTTHSD17B10

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 PIK3CD 14/4885ALDH1A1 3850/4885KDM4E 2074/4885

“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.