SCHEMBL6790712

SCHEMBL6790712

CCOC(=O)c1c2c(nn1CCCNCCc1cccs1)C1=CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)NC1CC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.34
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 3/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
HPGD P15428 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
RAB9A P51151 2/20 0.32
SLC26A6 Q9BXS9 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MC4R P32245 1/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL6792054 0.87 ADORA3 (0.32) NPC1SMN1; SMN2L3MBTL1RAB9AMAPT
SCHEMBL6793099 0.82 LMNA (0.36) ALDH1A1KDM4ENPC1LMNASMN1; SMN2
SCHEMBL6798581 0.81 OPRM1 (0.33) P2RY12ALDH1A1KDM4ELMNAHPGD
SCHEMBL6790717 0.81 ALDH1A1 (0.36) P2RY12ALDH1A1KDM4ENPC1LMNA
SCHEMBL6798834 0.80 DRD2 (0.36) KDM4EMAPT
SCHEMBL6791584 0.79 MEN1 (0.36) ALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL6793066 0.73 ROCK2 (0.38) P2RY12ALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL6792555 0.71 AURKA (0.47) P2RY12ALDH1A1KDM4ELMNAHPGD
SCHEMBL6794681 0.71 DRD2 (0.38)
SCHEMBL6790817 0.71 DRD2 (0.35) ALDH1A1KDM4EHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 P2RY12 715/4885ALDH1A1 4449/4885KDM4E 2167/4885

“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.