SCHEMBL13561344

SCHEMBL13561344

Cc1ncc(C(C)C)cc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 2/20 0.49
▸ PSMB5 P28074 3/20 0.40
▸ AKT1 P31749 1/20 0.38
▸ AKT2 P31751 1/20 0.38
▸ MEN1 O00255 5/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ PTGS1 P23219 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ FABP2 P12104 1/20 0.37
▸ AKR1C4 P17516 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ HTR2C P28335 1/20 0.37

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 0.82 FYN (0.43) —
SCHEMBL17107865 0.81 AKR1C3 (0.38) METAP2AKR1C3AKR1C2
SCHEMBL13561338 0.81 AKR1C3 (0.52) AKR1C3AKR1C2
SCHEMBL19737522 0.81 MAP4K4 (0.51) METAP2MAPK1
SCHEMBL13561357 0.80 FYN (0.42) MAPTLMNATP53
SCHEMBL17107866 0.80 PTGS2 (0.42) METAP2PTGS2CHRM3
SCHEMBL16248216 0.78 MAPT (0.47) METAP2MEN1KMT2AMAPTNPC1
SCHEMBL10105111 0.77 PSMB5 (0.49) METAP2PSMB5AKT1AKT2MEN1
SCHEMBL13561347 0.77 MKNK1 (0.55) —
SCHEMBL13561350 0.77 IKBKB (0.43) —

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 13 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-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 METAP2 2316/4885PSMB5 1718/4885AKT1 1522/4885
US-20130023538-A1 Heteroaryl Derivatives as CFTR Modulators CFTR, ABCB1, ABCD3 METAP2 2338/4885PSMB5 1374/4885AKT1 1490/4885
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 METAP2 2338/4885PSMB5 1374/4885AKT1 1490/4885
US-20150265612-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 METAP2 2316/4885PSMB5 1718/4885AKT1 1522/4885
US-20140371230-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 METAP2 2338/4885PSMB5 1374/4885AKT1 1490/4885

“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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