SCHEMBL16250608

SCHEMBL16250608

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 2/20 0.51
▸ NPC1 O15118 8/20 0.39
▸ RAB9A P51151 8/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ MAPT P10636 6/20 0.39
▸ POLB P06746 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ KMT2A Q03164 5/20 0.38
▸ MEN1 O00255 4/20 0.37
▸ CASP3 P42574 2/20 0.37
▸ SENP7 Q9BQF6 2/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ ABL1 P00519 2/20 0.37
▸ KLK7 P49862 1/20 0.37
▸ LCK P06239 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ TEK Q02763 1/20 0.36

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
SCHEMBL16250612 0.83 MLLT1 (0.49) KITNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL16241752 0.83 KIT (0.60) KITNPC1RAB9AMAPTKMT2A
SCHEMBL13813508 0.77 KIT (0.77) KITABL1KDR
SCHEMBL17936025 0.76 RAB9A (0.60) KITNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL24696591 0.75 KIT (0.72) KITABL1KDRTEK
SCHEMBL16250589 0.75 KIT (0.67) KITNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17936108 0.74 KIT (0.50) KITNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22300442 0.74 KIT (0.55) KITNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL15907178 0.74 BCAT2 (0.54) KITNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22299751 0.73 KMT2A (0.56) KITNPC1RAB9AMAPTPOLB

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 3 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
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 533/4885NPC1 3261/4885RAB9A 1149/4885
US-20140343282-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF ABL1, KRAS, ROS1 KIT 533/4885NPC1 3261/4885RAB9A 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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