SCHEMBL188393

SCHEMBL188393

Cc1cc(Nc2nc(C(=O)c3ccc(F)cc3)nc3ccc(F)cc23)n[nH]1.Cc1cc(Nc2nc(C(O)c3ccc(F)cc3)nc3ccc(F)cc23)n[nH]1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.68
CYP3A4 P08684 3/20 0.68
CYP2C8 P10632 3/20 0.68
CYP2C9 P11712 3/20 0.68
JAK1 P23458 3/20 0.68
TYK2 P29597 3/20 0.68
CYP2C19 P33261 3/20 0.68
JAK3 P52333 3/20 0.68
ADORA3 P0DMS8 2/20 0.68
CYP1A2 P05177 1/20 0.68
AURKA O14965 5/20 0.59
AURKB Q96GD4 3/20 0.59
NTRK1 P04629 1/20 0.47
PAK4 O96013 9/20 0.45
GRK6 P43250 1/20 0.45

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
SCHEMBL3769592 1.00 JAK2 (0.68) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL174382 0.90 AURKA (0.71) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL255488 0.90 JAK2 (0.82) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL174366 0.90 JAK2 (0.82) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL174367 0.90 JAK2 (0.82) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL173442 0.90 JAK2 (0.82) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL255907 0.82 JAK2 (0.82) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL187455 0.82 JAK2 (0.82) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL174394 0.82 JAK2 (0.82) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL720853 0.82 JAK2 (0.82) JAK2CYP3A4CYP2C8CYP2C9JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9308207-B2 JAK kinase modulating compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2016-04-12 US claimed
US-20150150874-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. (US) 2015-06-04 US claimed
US-8927711-B2 JAK kinase modulating compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2015-01-06 US claimed
EP-2401267-B1 JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND THEIR USE IN METHODS AMBIT BIOSCIENCES CORP (US) 2014-01-15 EP claimed
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. (US) 2013-09-19 US claimed
US-8349851-B2 JAK kinase modulating compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2013-01-08 US claimed
EP-2401267-A1 JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2012-01-04 EP claimed
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2010-12-16 US claimed
WO-2010099379-A1 JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-09-02 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20150150874-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 JAK2 1/4885CYP3A4 3115/4885CYP2C8 2046/4885
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 JAK2 1/4885CYP3A4 3115/4885CYP2C8 2046/4885
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 JAK2 1/4885CYP3A4 3115/4885CYP2C8 2046/4885

“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.