SCHEMBL4704935

SCHEMBL4704935

CC1Cc2nc3sc(C(N)=O)cc3cc2CC1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.37
DAPK3 O43293 2/20 0.36
CSNK1A1 P48729 2/20 0.36
LIMK1 P53667 2/20 0.36
ROCK1 Q13464 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
TNK2 Q07912 1/20 0.36
NOTUM Q6P988 2/20 0.34
KDR P35968 2/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
SIRT2 Q8IXJ6 4/20 0.33
SIRT1 Q96EB6 4/20 0.33
SIRT3 Q9NTG7 4/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4757672 0.82 HSP90AB1 (0.36) HSP90AB1DAPK3CSNK1A1LIMK1ROCK1
SCHEMBL4702022 0.80 MAPT (0.40) HSP90AB1DAPK3CSNK1A1LIMK1ROCK1
SCHEMBL13154846 0.78 MAPT (0.40) HSP90AB1DAPK3CSNK1A1LIMK1ROCK1
SCHEMBL4705577 0.73 RAB9A (0.38) HSP90AB1DAPK3CSNK1A1LIMK1ROCK1
SCHEMBL29926293 0.72 NPC1 (0.57) HSP90AB1DAPK3CSNK1A1LIMK1ROCK1
SCHEMBL4702415 0.68 MAPT (0.40) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL29926097 0.68 MAPT (0.40) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL22699253 0.68 ALDH1A1 (0.39) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL22691739 0.68 MAPT (0.40) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5998000 0.68 TP53 (0.35) KDM4ENPC1RAB9AMAPTSMN1; SMN2

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-1871776-A2 FUSED THIENO[2,3-B]PYRIDINE AND THIAZOLO[5,4-B]PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2008-01-02 EP disclosed
US-20060247320-A1 Compounds for inhibiting KSP kinesin activity SCHERING CORPORATION 2006-11-02 US disclosed
WO-2006098961-A2 FUSED THIENO [2, 3-B] PYRIDINE AND THIAZOLO [5, 4-B] PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2006-09-21 WO 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-20060247320-A1 Compounds for inhibiting KSP kinesin activity KIFC1, KIF5B, KIF2C HSP90AB1 656/4885DAPK3 1940/4885CSNK1A1 438/4885

“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.