SCHEMBL2220072

SCHEMBL2220072

CCOC(=O)c1cnc2c(C)cccn2c1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
ALDH1A1 P00352 5/20 0.58
HPGD P15428 5/20 0.58
GLA P06280 5/20 0.58
GAA P10253 5/20 0.58
HIF1A Q16665 3/20 0.57
KMT2A Q03164 3/20 0.57
HSD17B10 Q99714 2/20 0.57
POLB P06746 2/20 0.57
RECQL P46063 1/20 0.57
STAT6 P42226 1/20 0.57
TP53 P04637 4/20 0.57
MAPT P10636 3/20 0.57
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL5779170 0.88 KDM4E (0.57) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL9379333 0.87 KDM4E (0.56) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL17808847 0.83 KDM4E (0.60) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL16235806 0.82 SMN1; SMN2 (0.59) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL1580228 0.82 TP53 (0.62) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL15887179 0.82 TP53 (0.59) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL17802254 0.81 KDM4E (0.53) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL10375651 0.80 MAPT (0.60) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL11643359 0.80 KDM4E (0.70) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL10473124 0.80 KDM4E (0.59) KDM4EALDH1A1HPGDGLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US claimed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 EP disclosed
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 EP disclosed
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES NO ZAESUNG (KR) 2013-01-10 US disclosed
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES NO ZAESUNG (KR) 2013-01-10 US disclosed
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES NO ZAESUNG (KR) 2013-01-10 US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
WO-2011085990-A1 ANTI - INFECTIVE PYRIDO (1,2 -A) PYRIMIDINES INSTITUT PASTEUR KOREA (KR) 2011-07-21 WO disclosed
WO-2010003533-A2 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-01-14 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 (2 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-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 KDM4E 4439/4885ALDH1A1 3932/4885HPGD 1413/4885
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES TYMS, TYMP, DCTPP1 KDM4E 4036/4885ALDH1A1 2522/4885HPGD 737/4885

“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.