SCHEMBL15549532

SCHEMBL15549532

CC1(C)OB(c2cncc(NCc3ccccc3)c2)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
KCNH2 Q12809 1/20 0.42
LIPG Q9Y5X9 3/20 0.41
LPL P06858 2/20 0.41
DGAT1 O75907 1/20 0.40
RAB9A P51151 1/20 0.40
PDGFRB P09619 2/20 0.39
KDR P35968 2/20 0.39
PDGFRA P16234 1/20 0.39
HTT P42858 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
MAOB P27338 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR7 P34969 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
SCHEMBL17439342 0.82 LIPG (0.51) LTA4HLIPGLPLHTTMAOB
SCHEMBL3260125 0.80 LIPG (0.56) LIPGLPLDGAT1HTTALDH1A1
SCHEMBL17800073 0.78 DGAT1 (0.49) LIPGLPLDGAT1PDGFRBKDR
SCHEMBL10269020 0.77 LPL (0.56) LIPGLPLHTT
SCHEMBL3461798 0.77 SMN1; SMN2 (0.57) RAB9AHTTALDH1A1
SCHEMBL29789810 0.77 POLB (0.51) DGAT1RAB9APDGFRBKDRHTT
SCHEMBL28822828 0.77 POLB (0.51) DGAT1RAB9APDGFRBKDRHTT
SCHEMBL15550766 0.76 DGAT1 (0.53) LIPGLPLDGAT1PDGFRBPDGFRA
SCHEMBL31240616 0.76 DGAT1 (0.53) LIPGLPLDGAT1PDGFRBPDGFRA
SCHEMBL24137532 0.75 HTR7 (0.49) LIPGLPLPDGFRBKDRPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-07-27 US disclosed
WO-2021263129-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-12-30 WO disclosed
EP-2858990-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBVIE INC (US) 2018-05-16 EP disclosed
US-9561231-B2 Pyridinone and pyridazinone derivatives ABBVIE INC. (US) 2017-02-07 US disclosed
EP-2858990-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AbbVie Inc. (US) 2015-04-15 EP disclosed
EP-2858982-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AbbVie Inc. (US) 2015-04-15 EP disclosed
WO-2013185284-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBOTT LABORATORIES (US) 2013-12-19 WO disclosed
WO-2013188381-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBVIE INC. (US) 2013-12-19 WO disclosed
US-20130331382-A1 Pyridinone and Pyridazinone Derivatives ABBVIE INC. 2013-12-12 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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE PACSIN2, MAP3K20, PHKG1 LTA4H 2949/4885KCNH2 718/4885LIPG 783/4885
US-20130331382-A1 Pyridinone and Pyridazinone Derivatives CYP4F3, CYP4B1, CYP4F11 LTA4H 503/4885KCNH2 1763/4885LIPG 3224/4885

“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.