SCHEMBL2932098

SCHEMBL2932098

Nc1cc(Cl)c(C(=O)Nc2ccc3cn[nH]c3c2)cc1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.65
CLK2 P49760 2/20 0.62
CLK4 Q9HAZ1 2/20 0.62
MAP4K4 O95819 1/20 0.62
DYRK1A Q13627 1/20 0.62
SRPK1 Q96SB4 1/20 0.62
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HSD17B10 Q99714 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
CYP2C9 P11712 2/20 0.59
HIF1A Q16665 2/20 0.59
MAOB P27338 8/20 0.58
JAK2 O60674 1/20 0.57
JAK1 P23458 1/20 0.57
KDM4E B2RXH2 2/20 0.55
LMNA P02545 2/20 0.55

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
SCHEMBL2927215 0.87 HPGD (0.55) HPGDCLK2CLK4MAP4K4DYRK1A
SCHEMBL2929520 0.82 NPC1 (0.57) HPGDCLK2CLK4MAP4K4DYRK1A
SCHEMBL5133780 0.81 RAB9A (0.67) HPGDCLK2CLK4MAP4K4DYRK1A
SCHEMBL2927325 0.80 MAP4K4 (0.69) HPGDCLK2CLK4MAP4K4DYRK1A
SCHEMBL2932783 0.80 HPGD (0.54) HPGDCLK2CLK4MAP4K4DYRK1A
SCHEMBL2932052 0.79 HPGD (0.53) HPGDCLK2CLK4MAP4K4DYRK1A
SCHEMBL2932659 0.78 NPC1 (0.60) HPGDCLK2CLK4MAP4K4DYRK1A
SCHEMBL2932035 0.78 NPC1 (0.52) HPGDCLK2CLK4MAP4K4DYRK1A
SCHEMBL2927703 0.78 NPC1 (0.60) CLK2CLK4MAP4K4DYRK1ANPC1
SCHEMBL2932191 0.77 NPC1 (0.51) HPGDCLK2CLK4MAP4K4DYRK1A

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-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
CN-101379060-A Benzoxazole-based derivatives as Aurora kinase inhibitors, compositions, and methods of use TRANSTECH PHARMA INC (US) 2009-03-04 CN disclosed
EP-1987028-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-05 EP disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US disclosed
WO-2007095124-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-23 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-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB HPGD 3750/4885CLK2 293/4885CLK4 384/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB HPGD 3750/4885CLK2 293/4885CLK4 384/4885

“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.