SCHEMBL13561357

SCHEMBL13561357

Cc1ncc(C(C)C)cc1-c1ccc(CO)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 3/20 0.42
▸ ABL1 P00519 2/20 0.38
▸ EGFR P00533 4/20 0.37
▸ CSF1R P07333 4/20 0.37
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ MAP2K4 P45985 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.34
▸ VRK1 Q99986 1/20 0.34
▸ PDCD1 Q15116 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ EP300 Q09472 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL13561349 0.85 FYN (0.43) FYNABL1EGFRMAP2K4KDM5B
SCHEMBL13561344 0.80 METAP2 (0.49) LMNATP53MAPT
SCHEMBL13562426 0.80 FYN (0.46) FYNABL1EGFRCSF1RGRIN1
SCHEMBL13561347 0.78 MKNK1 (0.55) FYNMKNK1MKNK2
SCHEMBL18762209 0.78 ABL1 (0.44) FYNABL1MKNK1MKNK2MAP2K4
SCHEMBL13561356 0.76 RPS6KA3 (0.45) MKNK1MKNK2
SCHEMBL17107866 0.75 PTGS2 (0.42) GRIN1GRIN2B
SCHEMBL13561355 0.73 KCNH2 (0.41) LMNAGAA
SCHEMBL13561339 0.73 GABRA2 (0.44) EGFRLMNAKIF11GAA
SCHEMBL9344176 0.72 IDO1 (0.47) MKNK1MKNK2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751890-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-05 — — US 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-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-20140371230-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2014-12-18 — — 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-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
US-8299099-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-30 — — US disclosed
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2009-09-03 — — US 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 (5 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 4584/4885ABL1 2904/4885EGFR 1082/4885
US-20130023538-A1 Heteroaryl Derivatives as CFTR Modulators CFTR, ABCB1, ABCD3 FYN 4533/4885ABL1 2906/4885EGFR 1159/4885
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 FYN 4533/4885ABL1 2906/4885EGFR 1159/4885
US-20150265612-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 FYN 4584/4885ABL1 2904/4885EGFR 1082/4885
US-20140371230-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 FYN 4533/4885ABL1 2906/4885EGFR 1159/4885

“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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