SCHEMBL2926142

SCHEMBL2926142

CNc1n[nH]c2cc(N)ccc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.51
AXL P30530 2/20 0.47
PDPK1 O15530 6/20 0.42
AAK1 Q2M2I8 1/20 0.42
DYRK1A Q13627 1/20 0.42
AURKA O14965 1/20 0.41
TGFBR1 P36897 1/20 0.41
ROCK1 Q13464 1/20 0.41
AURKB Q96GD4 1/20 0.41
JAK2 O60674 1/20 0.41
TRPA1 O75762 3/20 0.40
MAP2K4 P45985 1/20 0.40
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
IMPDH2 P12268 1/20 0.40

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
SCHEMBL4007120 0.86 GSK3B (0.69) GSK3BAXLPDPK1AURKAROCK1
SCHEMBL13868958 0.81 GSK3B (0.77) GSK3BAXLPDPK1AAK1DYRK1A
SCHEMBL14942621 0.80 ITK (0.47) GSK3BDYRK1AMAP2K4
SCHEMBL2927184 0.79 DYRK1A (0.69) GSK3BAAK1DYRK1A
SCHEMBL2261204 0.79 DYRK1A (0.65) GSK3BAXLPDPK1DYRK1AAURKB
SCHEMBL31032803 0.79 MAP2K4 (0.62) GSK3BTRPA1MAP2K4
SCHEMBL12292284 0.79 DYRK1A (0.42) GSK3BDYRK1ATRPA1MAP2K4
SCHEMBL18410601 0.78 TRPA1 (0.53) GSK3BAXLPDPK1AURKATGFBR1
SCHEMBL922069 0.77 PDPK1 (0.65) AXLPDPK1AURKATGFBR1ROCK1
SCHEMBL12365607 0.76 GSK3B (0.49) GSK3BAXLPDPK1DYRK1AAURKA

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 4 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
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US 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 GSK3B 36/4885AXL 906/4885PDPK1 222/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB GSK3B 36/4885AXL 906/4885PDPK1 222/4885

“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.