SCHEMBL255871

SCHEMBL255871

Cc1cnc(Nc2nc(C(O)c3ccc(F)cc3)nc3ccccc23)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.60
GSK3B P49841 2/20 0.60
JAK2 O60674 4/20 0.59
CYP3A4 P08684 3/20 0.59
CYP2C8 P10632 3/20 0.59
CYP2C9 P11712 3/20 0.59
JAK1 P23458 3/20 0.59
TYK2 P29597 3/20 0.59
CYP2C19 P33261 3/20 0.59
JAK3 P52333 3/20 0.59
ADORA3 P0DMS8 2/20 0.59
CYP1A2 P05177 1/20 0.59
ALDH1A1 P00352 1/20 0.42
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
NR3C1 P04150 1/20 0.39
KDR P35968 2/20 0.38
MEN1 O00255 1/20 0.38
CLK1 P49759 1/20 0.38

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
SCHEMBL165180 1.00 GSK3A (0.60) GSK3AGSK3BJAK2CYP3A4CYP2C8
SCHEMBL166293 1.00 GSK3A (0.60) GSK3AGSK3BJAK2CYP3A4CYP2C8
SCHEMBL166294 1.00 GSK3A (0.60) GSK3AGSK3BJAK2CYP3A4CYP2C8
SCHEMBL165049 0.76 JAK2 (0.61) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL165048 0.76 JAK2 (0.61) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL255922 0.76 JAK2 (0.61) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL161932 0.76 JAK2 (0.61) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL720043 0.76 GSK3A (1.00) GSK3AGSK3BMEN1KMT2AABCG2
SCHEMBL17716229 0.75 JAK2 (0.59) JAK2CYP3A4CYP2C8CYP2C9JAK1
Ac-430 SCHEMBL256569 0.74 JAK2 (1.00) GSK3AGSK3BJAK2CYP3A4CYP2C8

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-20130225614-A1 4-AZOLYLAMINOQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-08-29 US disclosed
US-20130225614-A1 4-AZOLYLAMINOQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-08-29 US disclosed
WO-2012030914-A1 4-AZOLYLAMINOQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BOISCIENCES CORPORATION (US) 2012-03-08 WO 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-20130225614-A1 4-AZOLYLAMINOQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 GSK3A 337/4885GSK3B 383/4885JAK2 1/4885

“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.