Sugi Predict

Sugi Predict / Compounds / SCHEMBL11900523

SCHEMBL11900523

SCHEMBL11900523

C[C@H](N)c1nc2c(F)cccc2n1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ MAPK1 P28482 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ PIK3CB P42338 3/20 0.36
▸ PIK3CD O00329 7/20 0.35
▸ NR1H2 P55055 2/20 0.35
▸ NR1H3 Q13133 2/20 0.35
▸ PIK3CG P48736 2/20 0.33
▸ REN P00797 1/20 0.33
▸ PIK3R1 P27986 3/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL12473207 1.00 HTR2A (0.38) HTR2AHTR2CMAPK1HTTPIK3CB
SCHEMBL11900890 0.84 MAPK1 (0.41) HTR2AHTR2CMAPK1HTTPIK3CD
SCHEMBL12473087 0.84 MAPK1 (0.41) HTR2AHTR2CMAPK1HTTPIK3CD
SCHEMBL11900565 0.84 MAPK1 (0.41) HTR2AHTR2CMAPK1HTTPIK3CD
SCHEMBL11902158 0.83 NR1H2 (0.48) MAPK1HTTPIK3CDNR1H2NR1H3
SCHEMBL12473033 0.83 NR1H2 (0.48) MAPK1HTTPIK3CDNR1H2NR1H3
SCHEMBL2505936 0.82 PIK3CD (0.38) HTR2AHTR2CPIK3CBPIK3CDNR1H2
SCHEMBL15813122 0.81 PIK3CB (0.52) MAPK1PIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL15813121 0.81 PIK3CB (0.52) MAPK1PIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL11901863 0.77 MAPK1 (0.57) MAPK1HTTKDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 — — US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 — — US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 — — US disclosed
EP-2673269-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-18 — — EP disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — WO disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — WO disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 — — US disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 — — US disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 — — 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-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, AKT3 HTR2A 3574/4885HTR2C 2294/4885MAPK1 71/4885

“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.