SCHEMBL16241753

SCHEMBL16241753

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

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.61
▸ AR P10275 8/20 0.50
▸ BRAF P15056 7/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPSR1 Q6W5P4 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
SCHEMBL16250589 0.90 KIT (0.67) KITMEN1NPC1MAPTHTT
SCHEMBL24697059 0.85 KIT (0.62) KITBRAFMEN1NPC1MAPT
SCHEMBL13202458 0.85 KIT (0.57) KITARBRAFMEN1NPC1
SCHEMBL13130573 0.85 KIT (0.62) KITBRAFMEN1MAPTHTT
SCHEMBL19500723 0.85 KIT (0.61) KITBRAFMEN1NPC1MAPT
SCHEMBL24696591 0.84 KIT (0.72) KITBRAF
SCHEMBL16241752 0.83 KIT (0.60) KITBRAFMEN1NPC1MAPT
SCHEMBL24696421 0.83 KIT (0.70) KITBRAF
SCHEMBL17696235 0.83 KIT (0.59) KITBRAFMEN1NPC1MAPT
SCHEMBL16241756 0.83 KIT (0.70) KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 533/4885AR 3040/4885BRAF 9/4885
US-20140343282-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF ABL1, KRAS, ROS1 KIT 533/4885AR 3040/4885BRAF 9/4885

“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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