SCHEMBL13072363

SCHEMBL13072363

Cc1cc(Nc2cccc(CI)n2)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.50
▸ IGF1R P08069 4/20 0.43
▸ FGFR1 P11362 3/20 0.43
▸ KDR P35968 3/20 0.43
▸ AURKA O14965 7/20 0.43
▸ AURKB Q96GD4 5/20 0.43
▸ GSK3B P49841 5/20 0.42
▸ PAK4 O96013 4/20 0.42
▸ GSK3A P49840 3/20 0.42
▸ DAPK3 O43293 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ RET P07949 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ LTK P29376 1/20 0.42
▸ FLT3 P36888 1/20 0.42

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
SCHEMBL3532347 0.85 ITK (0.50) ITKIGF1RFGFR1KDRAURKA
SCHEMBL3529643 0.85 ITK (0.50) ITKIGF1RFGFR1KDRAURKA
SCHEMBL13936715 0.77 ITK (0.43) ITKIGF1RFGFR1KDRAURKA
SCHEMBL16444835 0.76 ITK (0.54) ITKAURKAAURKBGSK3BPAK4
SCHEMBL24742377 0.73 ITK (0.50) ITKIGF1RFGFR1KDRAURKA
SCHEMBL24742552 0.72 RET (0.41) ITKIGF1RFGFR1KDRAURKA
SCHEMBL902289 0.71 ITK (0.54) ITKIGF1RKDRAURKAAURKB
SCHEMBL30230471 0.70 ITK (0.65) ITKIGF1RFGFR1KDRAURKA
SCHEMBL18154707 0.70 ITK (0.65) ITKIGF1RFGFR1KDRAURKA
SCHEMBL3988041 0.70 XPO1 (0.48) ITKIGF1RFGFR1KDRAURKA

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-7834018-B2 aurora kinase inhibitors; 2-(thiazol-2-ylamino)pyridine compounds as antitumor agents; 6-((4-(3-chloro-2-fluorobenzoyl)piperazin-1-yl)methyl)-N-thiazol-2-ylpyridin-2-amine for example BANYU PHARMACEUTICAL CO., LTD (JP) 2010-11-16 — — US disclosed
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2009-06-11 — — US disclosed
US-7491720-B2 Aminopyridine derivatives having Aurora A selective inhibitory action BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-02-17 — — US disclosed
US-20080027042-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action OHKUBO MITSURU 2008-01-31 — — 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-20080027042-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action AURKA, AURKC, AURKB ITK 3132/4885IGF1R 1338/4885FGFR1 1541/4885
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB ITK 3132/4885IGF1R 1338/4885FGFR1 1541/4885

“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.

Send feedback