SCHEMBL1879561

SCHEMBL1879561

COc1cccc(F)c1-c1nc2c(C)cccc2cc1CO

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.45
MAP4K1 Q92918 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RPS6KA2 Q15349 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
S1PR1 P21453 1/20 0.36
CARM1 Q86X55 1/20 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
SCHEMBL1881999 0.89 MEN1 (0.46) PIK3CDMEN1KMT2A
SCHEMBL1883938 0.88 PIK3CD (0.45) PIK3CDMAP4K1RPS6KA2CASP3CASP7
SCHEMBL4169250 0.88 PIK3CD (0.45) PIK3CDMAP4K1RPS6KA2CASP3CASP7
SCHEMBL12014779 0.85 MAP4K1 (0.45) PIK3CDMAP4K1KMT2ARPS6KA2CASP3
SCHEMBL4173906 0.81 PIK3CD (0.58) PIK3CDCASP3CASP7S1PR1
SCHEMBL4178189 0.80 PIK3CD (0.53) PIK3CDMEN1KMT2A
SCHEMBL1598116 0.79 PIK3CD (0.49) PIK3CDMEN1KMT2A
SCHEMBL1879420 0.79 PIK3CD (0.41) PIK3CDMAP4K1RPS6KA2CASP3CASP7
SCHEMBL1885747 0.76 ATM (0.40) PIK3CDMEN1KMT2A
SCHEMBL4173919 0.75 PIK3CD (0.45) PIK3CDMAP4K1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399483-B2 Quinoxaline and quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2013-03-19 US disclosed
US-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA, S.A. (BE) 2011-05-05 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-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS PDXK, PDPK1, PIKFYVE PIK3CD 8/4885MAP4K1 12/4885MEN1 1813/4885

“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.