SCHEMBL5508124

SCHEMBL5508124

C(=Cc1ccc2[nH]nc(C=Cc3ccccc3)c2c1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.61
KDR P35968 8/20 0.57
FGFR1 P11362 1/20 0.57
AURKA O14965 3/20 0.56
AURKB Q96GD4 2/20 0.56
CDK1 P06493 1/20 0.56
CDK4 P11802 1/20 0.56
CCNA2 P20248 1/20 0.56
CCND1 P24385 1/20 0.56
CDK2 P24941 1/20 0.56
CCND3 P30281 1/20 0.56

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
SCHEMBL5508123 1.00 CHEK1 (0.61) CHEK1KDRFGFR1AURKAAURKB
SCHEMBL11924702 0.93 CHEK1 (0.55) CHEK1KDRFGFR1AURKAAURKB
SCHEMBL11924701 0.93 CHEK1 (0.55) CHEK1KDRFGFR1AURKAAURKB
SCHEMBL11924700 0.91 CHEK1 (0.56) CHEK1KDRFGFR1AURKAAURKB
SCHEMBL11924703 0.89 AURKA (0.54) CHEK1KDRFGFR1AURKAAURKB
SCHEMBL12764197 0.89 CHEK1 (0.62) CHEK1KDRFGFR1AURKAAURKB
SCHEMBL11924704 0.87 KDR (0.59) CHEK1KDRFGFR1AURKAAURKB
SCHEMBL5511827 0.86 CHEK1 (0.78) CHEK1KDRFGFR1AURKAAURKB
SCHEMBL17982219 0.86 CHEK1 (0.57) CHEK1KDRFGFR1AURKAAURKB
SCHEMBL17982218 0.86 CHEK1 (0.57) CHEK1KDRFGFR1AURKAAURKB

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-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2006-05-25 US disclosed
US-20050239855-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-6919461-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2005-07-19 US disclosed
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation REICH SIEGFRIED HEINZ (US) 2003-07-24 US disclosed
US-6555539-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS 2003-04-29 US disclosed
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS 2002-10-31 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 (4 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-20050239855-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 CHEK1 369/4885KDR 69/4885FGFR1 213/4885
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 CHEK1 369/4885KDR 69/4885FGFR1 213/4885
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 CHEK1 369/4885KDR 69/4885FGFR1 213/4885
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation MKI67, CCNI, CDK3 CHEK1 142/4885KDR 2432/4885FGFR1 550/4885

“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.