SCHEMBL17696235

SCHEMBL17696235

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 4/20 0.59
▸ MAPT P10636 5/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ FGFR1 P11362 2/20 0.43
▸ KDR P35968 2/20 0.43
▸ ABL1 P00519 5/20 0.43
▸ KCNK3 O14649 1/20 0.43
▸ KCNK9 Q9NPC2 1/20 0.43
▸ XBP1 P17861 1/20 0.42
▸ CSF1R P07333 2/20 0.42
▸ BRAF P15056 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP2D6 P10635 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 0.88 KIT (0.67) KITMAPTRAB9ANPSR1MEN1
SCHEMBL24697059 0.84 KIT (0.62) KITMAPTRAB9ANPSR1MEN1
SCHEMBL13130573 0.84 KIT (0.62) KITMAPTRAB9ANPSR1MEN1
SCHEMBL19500723 0.83 KIT (0.61) KITMAPTRAB9ANPSR1MEN1
SCHEMBL16241753 0.83 KIT (0.61) KITMAPTRAB9ANPSR1MEN1
SCHEMBL24696591 0.83 KIT (0.72) KITFGFR1KDRABL1CSF1R
SCHEMBL16241752 0.82 KIT (0.60) KITMAPTRAB9ANPSR1MEN1
SCHEMBL24696421 0.81 KIT (0.70) KITFGFR1KDRABL1CSF1R
SCHEMBL16241756 0.81 KIT (0.70) KITFGFR1KDRABL1CSF1R
SCHEMBL19500724 0.80 KIT (0.58) KITMAPTRAB9ANPSR1MEN1

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 2 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-20160108053-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF APICORE US LLC (US) 2016-04-21 — — 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 (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-20160108053-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF ABL1, KRAS, ROS1 KIT 533/4885MAPT 4157/4885RAB9A 1149/4885

“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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