SCHEMBL863823

SCHEMBL863823

CC(=O)N1CCC(CNc2nc3c(Cl)cccc3cc2[C@H](C)Nc2ncnc3[nH]cnc23)C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.42
BTK Q06187 6/20 0.37
CCNT1 O60563 4/20 0.37
AURKA O14965 2/20 0.37
RPS6KB1 P23443 1/20 0.37
AURKB Q96GD4 1/20 0.37
SOS1 Q07889 5/20 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
SCHEMBL863822 1.00 PIK3CD (0.42) PIK3CDBTKCCNT1AURKARPS6KB1
SCHEMBL863821 1.00 PIK3CD (0.42) PIK3CDBTKCCNT1AURKARPS6KB1
SCHEMBL864826 0.86 PIK3CD (0.43) PIK3CDBTKSOS1
SCHEMBL864825 0.86 PIK3CD (0.43) PIK3CDBTKSOS1
Hydrochloric Acid SCHEMBL864991 0.82 CCNT1 (0.41) BTKCCNT1
Hydrochloric Acid SCHEMBL864992 0.82 CCNT1 (0.41) BTKCCNT1
Hydrochloric Acid SCHEMBL864990 0.82 CCNT1 (0.41) BTKCCNT1
SCHEMBL863563 0.81 PIK3CD (0.48) PIK3CDBTKAURKARPS6KB1AURKB
SCHEMBL863564 0.81 PIK3CD (0.48) PIK3CDBTKAURKARPS6KB1AURKB
SCHEMBL864839 0.81 PIK3CD (0.46) PIK3CDAURKARPS6KB1AURKB

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 14/4885BTK 114/4885CCNT1 3488/4885

“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.