SCHEMBL4814628

SCHEMBL4814628

C#CCCC(=O)Nc1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.62
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
LMNA P02545 3/20 0.55
AAK1 Q2M2I8 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
MDM2 Q00987 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL11191 0.90 CYP1A2 (0.71) BCHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL4813925 0.82 CYP3A4 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL102245 0.79 HDAC3 (0.57) HDAC3HDAC1HDAC2HDAC6CYP1A2
SCHEMBL103105 0.79 ALDH1A1 (0.58) CYP1A2CYP3A4CYP2D6LMNATSHR
SCHEMBL8277405 0.77 BCHE (0.68) BCHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL16353729 0.77 BCHE (1.00) BCHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL2152531 0.76 CYP1A2 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11217088 0.75 BCHE (0.71) BCHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL16353862 0.74 BCHE (0.80) BCHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL10788197 0.74 HDAC3 (0.68) BCHEHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 BCHE 3569/4885HDAC3 586/4885HDAC4 977/4885

“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.