SCHEMBL1714036

SCHEMBL1714036

COc1ccc(CNc2cncc(-c3cccc(C#N)c3)c2)cc1OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.42
KIT P10721 1/20 0.42
TPH1 P17752 1/20 0.41
KCNH2 Q12809 1/20 0.41
FPR2 P25090 1/20 0.41
PDE4B Q07343 5/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
RECQL P46063 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
BRAF P15056 1/20 0.39
CYP11B2 P19099 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL1713537 0.85 PDE4A (0.56) PDE4ATPH1KCNH2PDE4BPDE4C
SCHEMBL1713598 0.84 KCNH2 (0.44) PDE4ATPH1KCNH2FPR2PDE4B
SCHEMBL13384090 0.83 PDE4A (0.47) PDE4ATPH1KCNH2FPR2PDE4B
SCHEMBL3274434 0.83 PDE4A (0.49) PDE4ATPH1PDE4BPDE4CPDE4D
SCHEMBL3275074 0.83 PDE4A (0.46) PDE4ATPH1KCNH2FPR2PDE4B
SCHEMBL1723820 0.81 ROCK2 (0.46) PDE4ATPH1KCNH2FPR2PDE4B
SCHEMBL13384094 0.80 PDE4A (0.47) PDE4ATPH1KCNH2FPR2PDE4B
SCHEMBL13384103 0.80 PDE4B (0.46) PDE4ATPH1KCNH2FPR2PDE4B
SCHEMBL7445077 0.79 PDE4A (0.61) PDE4AKITFPR2PDE4BPDE4C
SCHEMBL308600 0.78 RECQL (0.48) PDE4ATPH1PDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102186476-A Tryptophan hydroxylase inhibitors and methods of their use LEXICON PHARMACEUTICALS INC 2011-09-14 CN disclosed
EP-2344160-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2011-07-20 EP disclosed
US-20100087433-A1 Methods of inhibiting tryptophan hydroxylase LEXICON PHARMACEUTICALS, INC. 2010-04-08 US disclosed
US-20100087433-A1 Methods of inhibiting tryptophan hydroxylase LEXICON PHARMACEUTICALS, INC. 2010-04-08 US disclosed
US-20100087433-A1 Methods of inhibiting tryptophan hydroxylase LEXICON PHARMACEUTICALS, INC. 2010-04-08 US disclosed
WO-2010039957-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2010-04-08 WO disclosed
WO-2010039957-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2010-04-08 WO 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 (1 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-20100087433-A1 Methods of inhibiting tryptophan hydroxylase TPH1, TPH2, HNMT PDE4A 950/4885KIT 680/4885TPH1 1/4885

“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.