SCHEMBL13488124

SCHEMBL13488124

CCC(CC)c1ccc2c(c1)C(=O)NC2C

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 3/20 0.33
MKNK1 Q9BUB5 1/20 0.33
BRD4 O60885 2/20 0.33
CCL2 P13500 2/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PARP3 Q9Y6F1 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
KMT2A Q03164 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
SCHEMBL12240951 1.00 MKNK2 (0.33) MKNK2MKNK1BRD4CCL2HDAC8
SCHEMBL8179929 0.82 TNKS2 (0.42) MKNK2MKNK1BRD4HDAC8PIM1
SCHEMBL12219904 0.82 TNKS2 (0.42) MKNK2MKNK1BRD4HDAC8PIM1
SCHEMBL8164259 0.82 TNKS2 (0.42) MKNK2MKNK1BRD4HDAC8PIM1
SCHEMBL23997233 0.76 ALDH1A1 (0.43) MKNK2MKNK1BRD4PIM1PIM2
SCHEMBL8157312 0.73 CNR1 (0.43) MKNK2MKNK1
SCHEMBL12240953 0.73 KDM4E (0.44) MKNK2MKNK1TNKS2ALDH1A1CYP1A2
SCHEMBL12241449 0.73 KDM4E (0.44) MKNK2MKNK1TNKS2ALDH1A1CYP1A2
SCHEMBL12241460 0.73 KDM4E (0.44) MKNK2MKNK1TNKS2ALDH1A1CYP1A2
SCHEMBL18878150 0.71 ACHE (0.42) MKNK2MKNK1

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-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 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-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F8, F9 MKNK2 4173/4885MKNK1 4548/4885BRD4 1367/4885

“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.