SCHEMBL13562426

SCHEMBL13562426

Cc1cnc(C)c(-c2ccc(CO)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 4/20 0.46
▸ MAP2K4 P45985 1/20 0.42
▸ ABL1 P00519 2/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ EP300 Q09472 1/20 0.39
▸ CCR1 P32246 1/20 0.38
▸ CCR5 P51681 1/20 0.38
▸ CCR8 P51685 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ VRK1 Q99986 1/20 0.38
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ ACVRL1 P37023 1/20 0.35

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
SCHEMBL13562430 0.83 PRKCI (0.46) FYNMAP2K4ABL1
SCHEMBL18762209 0.83 ABL1 (0.44) FYNMAP2K4ABL1MKNK1MKNK2
SCHEMBL11256987 0.81 USP7 (0.45) ABL1CCR1CCR5CCR8VRK1
SCHEMBL13561357 0.80 FYN (0.42) FYNMAP2K4ABL1MKNK1MKNK2
SCHEMBL12970141 0.79 MAP2K4 (0.47) FYNMAP2K4MKNK1MKNK2EP300
SCHEMBL11262307 0.78 CYP2A6 (0.44) ABL1CCR1CCR5CCR8PTGS2
SCHEMBL12970125 0.77 MAP2K4 (0.48) FYNMAP2K4ABL1MKNK1MKNK2
SCHEMBL10105111 0.77 PSMB5 (0.49) ABL1CCR1CCR5CCR8PTGS2
SCHEMBL12970086 0.76 MKNK1 (0.43) FYNMAP2K4MKNK1MKNK2GRIN1
SCHEMBL13562437 0.75 MKNK1 (0.60) FYNABL1MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271622-B1 Heteroaryl derivatives as CFTR Modulators VERTEX PHARMA (US) 2017-10-04 — — EP disclosed
US-9751890-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-05 — — US disclosed
US-20170107225-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2017-04-20 — — US disclosed
US-9504683-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-29 — — US disclosed
US-20150265612-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2015-09-24 — — US disclosed
US-9079916-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-07-14 — — US disclosed
US-8796312-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-05 — — US disclosed
US-20130023538-A1 Heteroaryl Derivatives as CFTR Modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-24 — — US disclosed
US-8299099-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-30 — — US disclosed
WO-2009108657-A2 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-03 — — WO disclosed
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2009-09-03 — — 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 (4 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-20170107225-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 FYN 4584/4885MAP2K4 4553/4885ABL1 2904/4885
US-20130023538-A1 Heteroaryl Derivatives as CFTR Modulators CFTR, ABCB1, ABCD3 FYN 4533/4885MAP2K4 4619/4885ABL1 2906/4885
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 FYN 4533/4885MAP2K4 4619/4885ABL1 2906/4885
US-20150265612-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 FYN 4584/4885MAP2K4 4553/4885ABL1 2904/4885

“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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