SCHEMBL18298086

SCHEMBL18298086

CC(=O)OCc1ccc(NC(=O)c2ccc(C)c(I)c2)cc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 3/20 0.64
▸ BRAF P15056 11/20 0.49
▸ EGFR P00533 9/20 0.47
▸ HTT P42858 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MTOR P42345 1/20 0.44

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
SCHEMBL2316154 0.88 KIT (0.49) KITBRAFEGFRHTTMEN1
SCHEMBL18298084 0.87 KIT (0.71) KITBRAFEGFRHTTMEN1
SCHEMBL19073340 0.86 KIT (0.48) KITBRAFEGFRHTTMEN1
SCHEMBL2316261 0.84 MAPT (0.53) KITHTTMEN1NPC1MAPT
SCHEMBL23111995 0.84 KIT (0.67) KITBRAFEGFRHTTMEN1
SCHEMBL21611712 0.83 KIT (0.65) KITBRAFHTTMEN1NPC1
SCHEMBL29561783 0.83 KIT (0.65) KITBRAFHTTMEN1NPC1
SCHEMBL19073344 0.81 BRAF (0.47) KITBRAFEGFRHTT
SCHEMBL5498213 0.80 KIT (0.61) KITBRAFHTTMEN1NPC1
SCHEMBL2317440 0.79 KIT (0.43) KITBRAFEGFRHTTMEN1

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-9988389-B2 Processes for making ponatinib and intermediates thereof APICORE US LLC (US) 2018-06-05 — — US disclosed
US-9988389-B2 Processes for making ponatinib and intermediates thereof APICORE US LLC (US) 2018-06-05 — — US disclosed
US-20180044345-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF MYLAN API US LLC 2018-02-15 — — US disclosed
US-20180044345-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF MYLAN API US LLC 2018-02-15 — — US disclosed
US-20160362411-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF MYLAN API US LLC 2016-12-15 — — US disclosed
US-20160362411-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF MYLAN API US LLC 2016-12-15 — — US disclosed
WO-2016201203-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF APICORE US LLC (US) 2016-12-15 — — WO disclosed
WO-2016201203-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF APICORE US LLC (US) 2016-12-15 — — 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 (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-20180044345-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF ABL1, KRAS, ROS1 KIT 436/4885BRAF 12/4885EGFR 26/4885
US-20160362411-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF ABL1, KRAS, ROS1 KIT 436/4885BRAF 12/4885EGFR 26/4885

“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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