SCHEMBL3596754

SCHEMBL3596754

COC(=O)c1csc(-c2ccccc2C#N)n1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.64
MAOA P21397 1/20 0.64
HTR2B P41595 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
EIF4E P06730 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HPGDS O60760 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL25379771 0.80 ACHE (0.70) ACHEMAOAHTR2BMEN1MAPT
SCHEMBL24565527 0.79 ACHE (0.68) ACHEMAOAHTR2BSMN1; SMN2HPGDS
SCHEMBL14138717 0.78 ACHE (1.00) ACHEMAOAHTR2BMEN1MAPT
SCHEMBL14656020 0.77 ACHE (0.64) ACHEMAOAMEN1MAPTKMT2A
SCHEMBL12279458 0.77 MAOA (0.65) ACHEMAOAMEN1MAPTKMT2A
SCHEMBL14482064 0.77 MAOA (0.51) ACHEMAOAHDAC1HDAC8HDAC6
SCHEMBL13167871 0.76 ACHE (0.64) ACHEMAOAHTR2BMEN1MAPT
SCHEMBL29910977 0.75 MAOA (0.61) ACHEMAOAHDAC1HDAC8HDAC6
SCHEMBL15602685 0.73 ALDH1A1 (0.62) ACHEMAOAKMT2AHDAC1HDAC8
SCHEMBL2549198 0.72 MAOA (0.59) ACHEMAOAMAPTKMT2ATLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795249-B2 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-14 US disclosed
US-7795249-B2 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-14 US disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 US disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 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 (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-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MAP3K5, MAP4K5, MAP3K20 ACHE 2399/4885MAOA 1512/4885HTR2B 4340/4885

“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.