SCHEMBL11900473

SCHEMBL11900473

Fc1ccc2nc(C(Nc3ncnc4[nH]cnc34)c3ccccc3)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 1/20 0.42
▸ ALPI P09923 1/20 0.42
▸ ALPG P10696 1/20 0.42
▸ EGFR P00533 2/20 0.37
▸ SYK P43405 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ METAP2 P50579 2/20 0.36
▸ METAP1 P53582 2/20 0.36
▸ CBFB Q13951 1/20 0.36
▸ PIK3CD O00329 2/20 0.35
▸ PIK3CG P48736 2/20 0.35
▸ PIK3C3 Q8NEB9 1/20 0.35
▸ MET P08581 3/20 0.35
▸ KDR P35968 3/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ BACE2 Q9Y5Z0 1/20 0.35
▸ PIN1 Q13526 2/20 0.34
▸ PIK3R1 P27986 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34

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
SCHEMBL11900904 0.73 NPC1 (0.51) MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL12682789 0.72 TAAR1 (0.43) EGFRPIK3CGIDO1KMT2ALMNA
SCHEMBL20961968 0.71 S1PR3 (0.40) EGFRPIK3CGLMNASMN1; SMN2HSD17B10
SCHEMBL12473043 0.70 SCN10A (0.43) EGFRSYKIDO1
SCHEMBL15950870 0.69 SMN1; SMN2 (0.39) EGFRKDRMEN1KMT2ALMNA
SCHEMBL11901736 0.68 PIK3CD (0.67) PIK3CDPIK3CGPIK3C3PIK3R1PIK3CA
SCHEMBL11900537 0.68 PIK3CD (0.67) PIK3CDPIK3CGPIK3C3PIK3R1PIK3CA
SCHEMBL11901733 0.68 PIK3CD (0.67) PIK3CDPIK3CGPIK3C3PIK3R1PIK3CA
SCHEMBL5019518 0.68 LMNA (0.64) EGFRLMNASMN1; SMN2HSD17B10
SCHEMBL2623141 0.68 LMNA (0.64) EGFRLMNASMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2673269-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-18 — — EP claimed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — WO claimed
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
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 ALPL 1227/4885ALPI 216/4885ALPG 738/4885

“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.

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