SCHEMBL6070447

SCHEMBL6070447

COC(=O)c1cccc(Nc2nnc(-c3ccccn3)s2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.50
CSNK2B P67870 1/20 0.50
ROCK1 Q13464 1/20 0.49
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
SRC P12931 1/20 0.47
LMNA P02545 3/20 0.47
TP53 P04637 3/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 4/20 0.46
GRM5 P41594 1/20 0.46
KDM4E B2RXH2 5/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45

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
SCHEMBL7146361 0.78 P2RY1 (0.50) LMNATP53RAB9AGRM5KDM4E
SCHEMBL27074058 0.78 ABL1 (0.54) ROCK1ABL1BCRSRCLMNA
SCHEMBL3715917 0.78 NPC1 (0.65) TP53TSHRRAB9AKDM4EMAPT
SCHEMBL27040117 0.78 MAPT (0.56) CSNK2A2CSNK2BROCK1ABL1BCR
SCHEMBL23455564 0.77 ROCK1 (0.64) ROCK1ABL1BCRSRCLMNA
SCHEMBL6154361 0.77 KDM4E (0.60) ROCK1ABL1BCRSRCTP53
SCHEMBL27040050 0.76 ABL1 (0.60) ROCK1ABL1BCRSRCLMNA
SCHEMBL2161780 0.76 KDM4E (0.57) LMNATP53RAB9AKDM4EMAPT
SCHEMBL6070180 0.76 BLM (0.49) ROCK1ABL1BCRSRCLMNA
SCHEMBL15490435 0.76 ABL1 (0.65) ROCK1ABL1BCRSRCLMNA

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
US-7122565-B2 Thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors WARNER-LAMBERT LLC (US) 2006-10-17 US disclosed
EP-1326853-B1 THIADIAZOLES AND OXADIAZOLES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS WARNER LAMBERT CO (US) 2005-09-07 EP disclosed
US-20030045557-A1 Thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors WARNER-LAMBERT COMPANY 2003-03-06 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-20030045557-A1 Thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors PDE3A, PDE3B, PDE7A CSNK2A2 1767/4885CSNK2B 1262/4885ROCK1 128/4885

“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.