SCHEMBL184030

SCHEMBL184030

CC(C)OC(=O)NC1CCN(c2nc(-c3ccccc3O)nc3ccc(F)cc23)C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 5/20 0.50
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMAD3 P84022 1/20 0.41
HIF1A Q16665 1/20 0.39
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL184031 1.00 CHEK2 (0.50) CHEK2MEN1KMT2ASMAD3HIF1A
SCHEMBL184178 0.90 CHEK2 (0.48) CHEK2MEN1KMT2ASMAD3HIF1A
SCHEMBL184179 0.90 CHEK2 (0.48) CHEK2MEN1KMT2ASMAD3HIF1A
Hydrochloric Acid SCHEMBL4991743 0.89 CHEK2 (0.47) CHEK2MEN1KMT2ASMAD3HIF1A
Hydrochloric Acid SCHEMBL4991750 0.89 CHEK2 (0.47) CHEK2MEN1KMT2ASMAD3HIF1A
SCHEMBL14132251 0.89 CHEK2 (0.50) CHEK2MEN1KMT2ASMAD3MAPT
SCHEMBL12723203 0.89 CHEK2 (0.50) CHEK2MEN1KMT2ASMAD3
SCHEMBL1084926 0.88 CHEK2 (0.54) CHEK2MEN1KMT2ASMAD3
SCHEMBL1622030 0.88 CHEK2 (0.54) CHEK2MEN1KMT2ASMAD3MAPT
SCHEMBL183513 0.88 CHEK2 (0.54) CHEK2MEN1KMT2ASMAD3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809353-B2 Quinazolines useful as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-19 US disclosed
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 disclosed
EP-1957482-B1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMA (US) 2012-01-04 EP disclosed
US-20080221137-A1 Quinazolines useful as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-09-11 US 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 (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-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS KCNQ1, KCNQ2, KCNQ5 CHEK2 3091/4885MEN1 3006/4885KMT2A 2233/4885
US-20080221137-A1 Quinazolines useful as modulators of voltage gated ion channels KCNQ1, KCNQ2, KCNQ5 CHEK2 3091/4885MEN1 3006/4885KMT2A 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.