SCHEMBL3774652

SCHEMBL3774652

Cc1cc(Nc2nc(C=O)nc3cc(C(F)(F)F)ccc23)n[nH]1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.59
NTRK3 Q16288 2/20 0.59
NTRK2 Q16620 2/20 0.59
DHODH Q02127 1/20 0.51
AURKA O14965 12/20 0.51
AURKB Q96GD4 6/20 0.51
SRC P12931 4/20 0.47
GSK3B P49841 4/20 0.47
EIF2AK2 P19525 1/20 0.47
GSK3A P49840 1/20 0.47
SYK P43405 1/20 0.47

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
SCHEMBL20352375 0.82 AURKA (0.70) NTRK1AURKAAURKBSRCGSK3B
SCHEMBL17666782 0.80 NTRK1 (0.61) NTRK1NTRK3NTRK2DHODHAURKA
SCHEMBL14432796 0.80 AURKA (0.45) NTRK1NTRK3NTRK2DHODHAURKA
SCHEMBL3785366 0.78 DHODH (0.56) NTRK1NTRK3NTRK2DHODHAURKA
SCHEMBL255856 0.78 AURKA (0.66) NTRK1NTRK3NTRK2DHODHAURKA
SCHEMBL3791195 0.77 DHODH (0.55) NTRK1NTRK3NTRK2DHODHAURKA
SCHEMBL20352217 0.76 NTRK1 (0.59) NTRK1AURKA
SCHEMBL30482729 0.76 NTRK1 (0.75) NTRK1NTRK3NTRK2AURKAAURKB
SCHEMBL14432689 0.76 JAK2 (0.74) NTRK1NTRK3NTRK2DHODHAURKA
SCHEMBL174562 0.76 JAK2 (0.74) NTRK1NTRK3NTRK2DHODHAURKA

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 12 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
EP-2401267-B1 JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND THEIR USE IN METHODS AMBIT BIOSCIENCES CORP (US) 2014-01-15 EP claimed
EP-2611502-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP claimed
WO-2012030918-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO claimed
WO-2010099379-A1 JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-09-02 WO claimed
CN-106659765-B Use of dianhydrogalactitol and analogs or derivatives thereof for treating non-small cell lung cancer and ovarian cancer 德玛医药 2021-08-13 CN disclosed
EP-2401267-B1 JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND THEIR USE IN METHODS AMBIT BIOSCIENCES CORP (US) 2014-01-15 EP disclosed
EP-2611502-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
US-8349851-B2 JAK kinase modulating compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2013-01-08 US disclosed
WO-2012030918-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2010-12-16 US disclosed
WO-2010099379-A1 JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-09-02 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-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 NTRK1 1312/4885NTRK3 669/4885NTRK2 806/4885

“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.