SCHEMBL3578100

SCHEMBL3578100

Nc1cccc(C(=O)c2ccc3c(c2)NC(=O)C3=CNc2ccc(CCO)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.40
TGM2 P21980 3/20 0.38
PBRM1 Q86U86 1/20 0.36
PDPK1 O15530 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
BACE1 P56817 2/20 0.35
NTRK1 P04629 1/20 0.35
MAP3K7 O43318 1/20 0.34
TAB1 Q15750 1/20 0.34
AURKB Q96GD4 3/20 0.34
TLK2 Q86UE8 1/20 0.34
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
AKT2 P31751 1/20 0.33
RAF1 P04049 1/20 0.33

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
SCHEMBL3581713 0.92 PIM1 (0.41) PIM1TGM2PBRM1PDPK1NPC1
SCHEMBL3578097 0.91 AKT2 (0.39) PIM1TGM2PDPK1BACE1NTRK1
SCHEMBL3575067 0.91 PIM1 (0.42) PIM1TGM2PBRM1PDPK1NPC1
SCHEMBL3572822 0.89 PIM1 (0.38) PIM1TGM2PBRM1PDPK1NPC1
SCHEMBL3567211 0.87 CHEK1 (0.38) PIM1TGM2PDPK1AURKBAKT2
SCHEMBL3572847 0.85 PIM1 (0.42) PIM1TGM2PBRM1PDPK1NPC1
SCHEMBL3572532 0.85 CSF1R (0.40) PIM1TGM2PDPK1LMNAAKT2
SCHEMBL3581709 0.83 AKT2 (0.40) PIM1TGM2PDPK1BACE1NTRK1
SCHEMBL3575063 0.82 PLAU (0.41) PIM1TGM2PDPK1BACE1NTRK1
SCHEMBL3575699 0.82 MAP3K7 (0.46) PIM1TGM2PBRM1PDPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP claimed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO claimed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 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 (2 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-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 PIM1 498/4885TGM2 3854/4885PBRM1 2011/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 PIM1 268/4885TGM2 2093/4885PBRM1 1187/4885

“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.