SCHEMBL3580640

SCHEMBL3580640

Nc1cccc(C(=O)c2ccc3c(c2)NC(=O)C3=CO)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.51
TGM2 P21980 6/20 0.48
PBRM1 Q86U86 1/20 0.48
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
POLB P06746 1/20 0.46
TLK2 Q86UE8 3/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MAP3K7 O43318 1/20 0.41
TAB1 Q15750 1/20 0.41
RAF1 P04049 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IDO1 P14902 1/20 0.39
PDPK1 O15530 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
SCHEMBL3587087 0.90 TLK2 (0.53) TGM2PBRM1LMNANPC1MITF
SCHEMBL3580637 0.88 PDPK1 (0.47) PIM1TGM2LMNATLK2MAP3K7
SCHEMBL3580973 0.88 PIM1 (0.54) PIM1TGM2LMNATLK2MAP3K7
SCHEMBL3580971 0.84 PIM1 (0.46) PIM1TGM2LMNATLK2MAP3K7
SCHEMBL3575699 0.80 MAP3K7 (0.46) PIM1TGM2PBRM1LMNANPC1
SCHEMBL3652100 0.80 TLK2 (0.41) PIM1TGM2LMNATLK2MAP3K7
SCHEMBL3652102 0.80 TLK2 (0.41) PIM1TGM2LMNATLK2MAP3K7
SCHEMBL3577289 0.80 NTRK3 (0.53) TGM2LMNANPC1POLBALDH1A1
SCHEMBL3577292 0.80 NTRK3 (0.53) TGM2LMNANPC1POLBALDH1A1
SCHEMBL3587084 0.80 PDPK1 (0.58) TLK2RAF1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.