SCHEMBL183880

SCHEMBL183880

Cc1ccc2c(N3C[CH]CC3)nc(-c3c(O)cccc3F)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.52
MAPT P10636 7/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
SMAD3 P84022 1/20 0.38
HIF1A Q16665 1/20 0.37
LMNA P02545 2/20 0.34
GBA1 P04062 1/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
CYP1A2 P05177 2/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
CYP3A4 P08684 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 2/20 0.33

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
SCHEMBL14535760 0.87 CHEK2 (0.53) CHEK2MAPTKMT2AMEN1HRH4
SCHEMBL13769242 0.86 CHEK2 (0.52) CHEK2MAPTKMT2AMEN1HRH4
SCHEMBL13769484 0.85 HRH4 (0.55) CHEK2MAPTKMT2AMEN1HRH4
SCHEMBL1623317 0.84 CHEK2 (0.51) CHEK2MAPTKMT2AMEN1HRH4
SCHEMBL1084434 0.84 CHEK2 (0.50) CHEK2MAPTKMT2AMEN1HRH4
SCHEMBL1084915 0.84 CHEK2 (0.57) CHEK2MAPTKMT2AMEN1HRH4
SCHEMBL1084592 0.84 CHEK2 (0.57) CHEK2MAPTKMT2AMEN1HRH4
SCHEMBL183876 0.83 SMAD3 (0.57) CHEK2MAPTKMT2AMEN1SMAD3
SCHEMBL1622861 0.83 CHEK2 (0.56) CHEK2MAPTKMT2AMEN1HRH4
SCHEMBL1084840 0.82 CHEK2 (0.48) CHEK2MAPTKMT2AMEN1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158637-B2 Sodium channel moderators; antiarrhythmia agents; analgesics; antiarthritic agents; antiinflammatory agents; antieplipetic agents; psychological disorders; nervous system disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-17 US claimed
EP-1957482-B1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMA (US) 2012-01-04 EP claimed
US-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2008-07-10 US claimed
US-8809353-B2 Quinazolines useful as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-19 US disclosed
EP-1957482-B1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMA (US) 2012-01-04 EP disclosed
US-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2008-07-10 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-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS KCNQ1, KCNQ2, KCNQ5 CHEK2 3091/4885MAPT 2332/4885KMT2A 2233/4885

“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.