SCHEMBL165049

SCHEMBL165049

O[C@@H](c1ccc(F)cc1)c1nc(Nc2cscn2)c2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.61
JAK3 P52333 4/20 0.61
CYP3A4 P08684 3/20 0.61
CYP2C8 P10632 3/20 0.61
CYP2C9 P11712 3/20 0.61
JAK1 P23458 3/20 0.61
TYK2 P29597 3/20 0.61
CYP2C19 P33261 3/20 0.61
ADORA3 P0DMS8 2/20 0.61
CYP1A2 P05177 1/20 0.61
ABCG2 Q9UNQ0 2/20 0.38
AURKA O14965 2/20 0.38
AURKB Q96GD4 1/20 0.38
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
GRK6 P43250 2/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL161932 1.00 JAK2 (0.61) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL255922 1.00 JAK2 (0.61) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL165048 1.00 JAK2 (0.61) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL15205990 0.80 JAK2 (0.67) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL255866 0.80 JAK2 (0.67) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL15205991 0.80 JAK2 (0.67) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL174280 0.80 JAK2 (0.67) JAK2JAK3CYP3A4CYP2C8CYP2C9
Hydrochloric Acid SCHEMBL174358 0.79 JAK2 (0.66) JAK2JAK3CYP3A4CYP2C8CYP2C9
Hydrochloric Acid SCHEMBL174357 0.79 JAK2 (0.66) JAK2JAK3CYP3A4CYP2C8CYP2C9
Hydrochloric Acid SCHEMBL174359 0.79 JAK2 (0.66) JAK2JAK3CYP3A4CYP2C8CYP2C9

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
EP-2611794-A1 4-AZOLYLAMINOQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP 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 JAK2 1/4885JAK3 2/4885CYP3A4 2057/4885

“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.