SCHEMBL1623249

SCHEMBL1623249

Cc1ccc2c(N3CC[C@@H](N(C(=O)O)C(C)(C)C)C3)nc(-c3c(O)cccc3F)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.62
MAPT P10636 3/20 0.35
JAK2 O60674 3/20 0.33
TSHR P16473 2/20 0.33
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
HIF1A Q16665 1/20 0.32
KRAS P01116 1/20 0.32
CYP1A2 P05177 2/20 0.32
JAK3 P52333 2/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL4015698 0.89 CHEK2 (0.68) CHEK2MAPTJAK2TSHRJAK3
SCHEMBL5506872 0.89 CHEK2 (0.68) CHEK2MAPTJAK2TSHRJAK3
SCHEMBL184190 0.87 CHEK2 (0.61) CHEK2MAPTTSHRHIF1ACYP1A2
SCHEMBL1624697 0.87 CHEK2 (0.61) CHEK2MAPTTSHRHIF1ACYP1A2
SCHEMBL184160 0.86 CHEK2 (0.63) CHEK2MAPTJAK2JAK3
SCHEMBL184161 0.86 CHEK2 (0.63) CHEK2MAPTJAK2JAK3
SCHEMBL1623662 0.85 CHEK2 (0.61) CHEK2MAPTCCNE2CCNE1CDK2
Hydrochloric Acid SCHEMBL4020400 0.84 CHEK2 (0.60) CHEK2MAPTCCNE2CCNE1CDK2
SCHEMBL183846 0.84 CHEK2 (0.58) CHEK2MAPTJAK2HIF1AJAK3
SCHEMBL183845 0.84 CHEK2 (0.58) CHEK2MAPTJAK2HIF1AJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283354-B2 Voltage gated sodium and calcium channel inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-09 US disclosed
US-7928107-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-19 US disclosed
US-20060173018-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 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-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 CHEK2 2935/4885MAPT 2508/4885JAK2 3157/4885

“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.