SCHEMBL658782

SCHEMBL658782

Nc1ncc(-c2cnn(C3CCC(O)CC3)c2)c2cc(-c3ccc4[nH]ncc4c3)oc12

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 18/20 0.59
TAB1 Q15750 18/20 0.59
KDR P35968 1/20 0.58
AURKB Q96GD4 1/20 0.58
MAP4K3 Q8IVH8 1/20 0.57
GRK2 P25098 1/20 0.52
GRK5 P34947 1/20 0.52

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
SCHEMBL658781 1.00 MAP3K7 (0.59) MAP3K7TAB1KDRAURKBMAP4K3
SCHEMBL658928 0.93 MAP3K7 (0.59) MAP3K7TAB1KDRAURKBMAP4K3
SCHEMBL658929 0.93 MAP3K7 (0.59) MAP3K7TAB1KDRAURKBMAP4K3
SCHEMBL10217396 0.91 MAP3K7 (0.72) MAP3K7TAB1MAP4K3GRK2GRK5
Hydrochloric Acid SCHEMBL658205 0.90 MAP3K7 (0.71) MAP3K7TAB1MAP4K3GRK2GRK5
SCHEMBL10270816 0.89 MAP3K7 (0.58) MAP3K7TAB1MAP4K3
SCHEMBL658715 0.87 MAP3K7 (0.76) MAP3K7TAB1
SCHEMBL658332 0.84 MAP3K7 (0.63) MAP3K7TAB1
SCHEMBL661901 0.83 MAP3K7 (0.79) MAP3K7TAB1KDRAURKBMAP4K3
SCHEMBL661902 0.83 MAP3K7 (0.79) MAP3K7TAB1KDRAURKBMAP4K3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378104-B2 7-aminofuropyridine derivatives OSI Pharmaceuticals, LLC (US) 2013-02-19 US disclosed
US-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2012-02-23 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 (1 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-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES MAP3K5, STK17A, MAPKAPK5 MAP3K7 5/4885TAB1 4/4885KDR 3584/4885

“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.