SCHEMBL3274458

SCHEMBL3274458

c1ccc(-c2ccccc2CNc2cnc(-c3cn[nH]c3)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.45
AKT2 P31751 1/20 0.45
TPH1 P17752 2/20 0.45
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
CHEK1 O14757 2/20 0.40
PIM1 P11309 1/20 0.40
KCNA5 P22460 1/20 0.40
CHEK2 O96017 1/20 0.40
BCL2L1 Q07817 1/20 0.40
CLK2 P49760 2/20 0.39
HIPK1 Q86Z02 2/20 0.39
HIPK2 Q9H2X6 2/20 0.39
HIPK3 Q9H422 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
DYRK2 Q92630 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
SCHEMBL3274402 0.75 HDAC3 (0.51) TPH1HDAC3HDAC1HDAC2HDAC6
SCHEMBL870470 0.71 TPH1 (0.82) TPH1
SCHEMBL28552255 0.68 AKT2 (0.72) AKT1AKT2CHEK1PIM1CHEK2
SCHEMBL6520649 0.68 AKT2 (0.50) AKT1AKT2BCL2L1ROCK2ADRA1D
SCHEMBL82741 0.66 AKT2 (1.00) AKT1AKT2CHEK1PIM1CHEK2
Benzene SCHEMBL28198087 0.66 AKT2 (1.00) AKT1AKT2CHEK1PIM1CHEK2
SCHEMBL10648059 0.66 HDAC3 (0.53) TPH1HDAC3HDAC1HDAC2HDAC6
SCHEMBL21142334 0.66 AKT2 (0.53) AKT1AKT2CHEK1PIM1CHEK2
SCHEMBL309144 0.66 SMN1; SMN2 (0.43) TPH1HDAC3HDAC1HDAC2HDAC6
SCHEMBL3980734 0.65 ALDH1A1 (0.46) HDAC3HDAC1HDAC2HDAC6MAPK1

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 5 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
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

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 AKT1 3593/4885AKT2 3327/4885TPH1 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.