SCHEMBL3572847

SCHEMBL3572847

Nc1cccc(C(=O)c2ccc3c(c2)NC(=O)C3=CNc2ccc(C(=O)NO)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.42
TGM2 P21980 2/20 0.40
NTRK1 P04629 1/20 0.40
AURKB Q96GD4 6/20 0.39
HDAC1 Q13547 1/20 0.39
PBRM1 Q86U86 1/20 0.38
FLT3 P36888 3/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
PDPK1 O15530 1/20 0.36
BACE1 P56817 1/20 0.36
RAF1 P04049 1/20 0.36
MAP3K7 O43318 1/20 0.36
TAB1 Q15750 1/20 0.36

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
SCHEMBL3572841 0.91 NTRK1 (0.40) PIM1TGM2NTRK1AURKBFLT3
SCHEMBL3575067 0.88 PIM1 (0.42) PIM1TGM2NTRK1AURKBPBRM1
SCHEMBL3581713 0.87 PIM1 (0.41) PIM1TGM2NTRK1AURKBPBRM1
SCHEMBL3578100 0.85 PIM1 (0.40) PIM1TGM2NTRK1AURKBPBRM1
SCHEMBL3575699 0.85 MAP3K7 (0.46) PIM1TGM2NTRK1PBRM1CCNB2
SCHEMBL3572836 0.84 AURKB (0.38) TGM2NTRK1AURKBFLT3CCNB2
SCHEMBL3570007 0.83 LMNA (0.45) PIM1TGM2NTRK1AURKBPBRM1
SCHEMBL3572822 0.82 PIM1 (0.38) PIM1TGM2NTRK1AURKBPBRM1
SCHEMBL3578299 0.82 CSF1R (0.46) PIM1AURKBNPC1
SCHEMBL3572532 0.82 CSF1R (0.40) PIM1TGM2HDAC1LMNAPDPK1

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 3854/4885NTRK1 307/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 PIM1 268/4885TGM2 2093/4885NTRK1 413/4885

“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.