SCHEMBL863796

SCHEMBL863796

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2nc1NCc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.46
KDM4C Q9H3R0 1/20 0.43
CLK4 Q9HAZ1 4/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
USP2 O75604 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
USP1 O94782 1/20 0.38
WDR48 Q8TAF3 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
SCHEMBL863797 1.00 PIK3CD (0.46) PIK3CDKDM4CCLK4ALDH1A1CYP1A2
SCHEMBL863485 0.85 PIK3CD (0.47) PIK3CDALDH1A1TSHRLMNAMAPK1
SCHEMBL863486 0.85 PIK3CD (0.47) PIK3CDALDH1A1TSHRLMNAMAPK1
SCHEMBL27781262 0.83 PIK3CD (0.54) PIK3CD
SCHEMBL4181518 0.83 PIK3CD (0.54) PIK3CD
SCHEMBL864804 0.83 PIK3CD (0.49) PIK3CDCYP3A4KDM4E
SCHEMBL864803 0.83 PIK3CD (0.49) PIK3CDCYP3A4KDM4E
SCHEMBL863371 0.82 PIK3CD (0.54) PIK3CD
SCHEMBL863372 0.82 PIK3CD (0.54) PIK3CD
SCHEMBL863564 0.81 PIK3CD (0.48) PIK3CD

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 14/4885KDM4C 3016/4885CLK4 280/4885

“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.