SCHEMBL2399620

SCHEMBL2399620

COc1cccc(N2CCN(c3ccc4ncc5[nH]nc(-c6ccc(C(C)(C)C#N)cc6)c5c4c3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ PIK3CA P42336 3/20 0.38
▸ MTOR P42345 3/20 0.38
▸ PIK3CD O00329 2/20 0.38
▸ PIK3CB P42338 2/20 0.38
▸ PIK3CG P48736 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL1558765 0.93 MAPT (0.41) MAP4K1MAPTALDH1A1NPC1RAB9A
SCHEMBL1558776 0.90 ABL1 (0.36) MAP4K1MAPTALDH1A1NPC1RAB9A
SCHEMBL13362129 0.89 MTOR (0.39) MAP4K1ALDH1A1PIK3CAMTORPIK3CD
SCHEMBL1558223 0.88 MAP4K1 (0.44) MAP4K1PIK3CAMTORPIK3CDPIK3CB
SCHEMBL1558598 0.87 PDPK1 (0.44) ALDH1A1PIK3CAMTORPIK3CDPIK3CB
SCHEMBL1559163 0.86 PDPK1 (0.43) MAP4K1PIK3CAMTORPIK3CDPIK3CB
SCHEMBL1559266 0.86 CHEK1 (0.47) MAP4K1ALDH1A1PIK3CAMTORPIK3CD
SCHEMBL1558837 0.85 LRRK2 (0.43) ALDH1A1PIK3CAMTORPIK3CDPIK3CB
SCHEMBL2400532 0.85 PIK3CA (0.39) MAP4K1MAPTSMN1; SMN2POLBPIK3CA
SCHEMBL2394510 0.84 ALDH1A1 (0.49) ALDH1A1PIK3CAMTORPIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. 2011-09-01 — — US claimed
WO-2009155527-A9 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. (US) 2010-05-06 — — WO claimed
US-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. 2011-09-01 — — US disclosed
US-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. 2011-09-01 — — US disclosed
US-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. 2011-09-01 — — 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-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PIK3CA, AKT1, PIK3R5 MAP4K1 95/4885MAPT 3045/4885ALDH1A1 4549/4885

“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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