SCHEMBL4704433

SCHEMBL4704433

CC(C)C1Cc2cc3c(N)c(C#N)sc3nc2CC1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.55
ALDH1A1 P00352 12/20 0.55
MAPT P10636 10/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 5/20 0.42
HSD17B10 Q99714 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
XBP1 P17861 1/20 0.42
HPGD P15428 7/20 0.37
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
CYP2C19 P33261 2/20 0.37
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32

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
SCHEMBL4703109 0.83 KDM4E (0.56) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL5997173 0.80 MAPT (0.61) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL13670442 0.78 MAPT (0.65) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL4706426 0.76 PNMT (0.34) KDM4EGAA
SCHEMBL4704337 0.73 KDM4E (0.53) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL22690991 0.73 MAPT (0.61) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL4704685 0.73 MAPT (0.61) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL13154843 0.71 KDM4E (0.65) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL4705550 0.69 KDM4E (0.42) KDM4ESMN1; SMN2POLBGAA
SCHEMBL4757672 0.68 HSP90AB1 (0.36) KDM4EALDH1A1MAPTSMN1; SMN2POLB

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 KDM4E 501/4885ALDH1A1 2371/4885MAPT 434/4885

“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.