SCHEMBL863379

SCHEMBL863379

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2nc1NC1CCC(=O)NC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.44
PIK3CG P48736 4/20 0.37
ABCB11 O95342 1/20 0.37
TBXA2R P21731 1/20 0.37
PIK3R1 P27986 1/20 0.37
HTR2A P28223 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PDE3A Q14432 1/20 0.37
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
IRAK1 P51617 3/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
CCNT1 O60563 1/20 0.35
CCNK O75909 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CCNH P51946 1/20 0.35

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
SCHEMBL863378 1.00 PIK3CD (0.44) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL863329 0.88 PIK3CD (0.50) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL863330 0.88 PIK3CD (0.50) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL863494 0.82 PIK3CD (0.44) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL863495 0.82 PIK3CD (0.44) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL864825 0.82 PIK3CD (0.43) PIK3CDIRAK1IRAK4CDK2
SCHEMBL864826 0.82 PIK3CD (0.43) PIK3CDIRAK1IRAK4CDK2
SCHEMBL864696 0.81 PIM1 (0.39) PIK3CDPIK3CGPIM1PIM2IRAK1
SCHEMBL864695 0.81 PIM1 (0.39) PIK3CDPIK3CGPIM1PIM2IRAK1
SCHEMBL863372 0.80 PIK3CD (0.54) PIK3CDPIK3CGABCB11TBXA2RPIK3R1

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 14/4885PIK3CG 21/4885ABCB11 4840/4885

“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.