SCHEMBL2397682

SCHEMBL2397682

Cn1nc2cnc3ccc(-c4cncc(NC(=O)C5CC5)c4)cc3c2c1-c1ccc(C(C)(C)C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 9/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ CLK2 P49760 8/20 0.41
▸ CLK3 P49761 7/20 0.41
▸ DYRK1A Q13627 7/20 0.41
▸ PIK3CB P42338 2/20 0.41
▸ PRKDC P78527 2/20 0.41
▸ ATM Q13315 2/20 0.41
▸ ATR Q13535 2/20 0.41
▸ ATRIP Q8WXE1 1/20 0.41
▸ WNT1 P04628 2/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3C2A O00443 1/20 0.39
▸ PIK3C2B O00750 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ MET P08581 1/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ LTK P29376 1/20 0.39

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
SCHEMBL2397709 0.88 MTOR (0.42) MTORALDH1A1CLK2CLK3DYRK1A
Cyclopropane Carboxylic Acid SCHEMBL1557567 0.81 CLK2 (0.48) MTORCLK2CLK3DYRK1AWNT1
SCHEMBL1558752 0.80 DYRK1A (0.43) MTORCLK2CLK3DYRK1APIK3CB
SCHEMBL2397654 0.78 MTOR (0.43) MTORPIK3CBPRKDCATMATR
SCHEMBL1559319 0.78 MTOR (0.48) MTORDYRK1APIK3CBPRKDCATM
SCHEMBL1559281 0.78 MTOR (0.43) MTORALDH1A1PIK3CBPRKDCATM
SCHEMBL2397163 0.78 MTOR (0.50) MTORCLK2CLK3DYRK1APIK3CB
SCHEMBL2394346 0.77 IRAK4 (0.46) MTORCLK2CLK3DYRK1APIK3CB
SCHEMBL1559492 0.75 MTOR (0.41) MTORALDH1A1PIK3CBPRKDCATM
Cyclopropane Carboxylic Acid SCHEMBL1557568 0.74 CLK2 (0.45) MTORCLK2CLK3DYRK1AWNT1

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
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
WO-2009155527-A9 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. (US) 2010-05-06 — — WO 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 MTOR 26/4885ALDH1A1 4549/4885CLK2 408/4885

“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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