SCHEMBL16241752

SCHEMBL16241752

C#Cc1cc(C(=O)Nc2ccc(C=O)c(C(F)(F)F)c2)ccc1C

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 5/20 0.60
▸ MAPT P10636 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ABL1 P00519 6/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ KDR P35968 5/20 0.42
▸ FGFR1 P11362 3/20 0.42
▸ CSF1R P07333 2/20 0.42
▸ LCK P06239 3/20 0.42
▸ TEK Q02763 2/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ BRAF P15056 1/20 0.42

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
SCHEMBL16250589 0.89 KIT (0.67) KITMAPTNPSR1MEN1NPC1
SCHEMBL13130573 0.84 KIT (0.62) KITMAPTNPSR1MEN1HTT
SCHEMBL24697059 0.84 KIT (0.62) KITMAPTNPSR1MEN1NPC1
SCHEMBL19500723 0.84 KIT (0.61) KITMAPTNPSR1MEN1NPC1
SCHEMBL16241753 0.83 KIT (0.61) KITMAPTNPSR1MEN1NPC1
SCHEMBL24696591 0.83 KIT (0.72) KITABL1KDRFGFR1CSF1R
SCHEMBL16241636 0.83 KIT (0.58) KITMAPTNPSR1MEN1NPC1
SCHEMBL4901949 0.83 MAPT (0.58) KITMAPTNPSR1MEN1NPC1
SCHEMBL16250608 0.83 KIT (0.51) KITMAPTMEN1NPC1RAB9A
SCHEMBL24696421 0.82 KIT (0.70) KITABL1KDRFGFR1CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160108053-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF APICORE US LLC (US) 2016-04-21 — — US claimed
US-20140343282-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF APICORE, LLC (US) 2014-11-20 — — US claimed
US-9493473-B2 Processes for making ponatinib and intermediates thereof APICORE US LLC (US) 2016-11-15 — — US disclosed
US-9493473-B2 Processes for making ponatinib and intermediates thereof APICORE US LLC (US) 2016-11-15 — — US disclosed
US-20160108053-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF APICORE US LLC (US) 2016-04-21 — — US disclosed
US-20160108053-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF APICORE US LLC (US) 2016-04-21 — — US disclosed
US-20140343282-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF APICORE, LLC (US) 2014-11-20 — — US disclosed
US-20140343282-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF APICORE, LLC (US) 2014-11-20 — — 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-20160108053-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF ABL1, KRAS, ROS1 KIT 533/4885MAPT 4157/4885NPSR1 4786/4885
US-20140343282-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF ABL1, KRAS, ROS1 KIT 533/4885MAPT 4157/4885NPSR1 4786/4885

“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.

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