SCHEMBL5846199

SCHEMBL5846199

CSc1ncnc(-c2ccccn2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
TDP1 Q9NUW8 3/20 0.52
TP53 P04637 4/20 0.47
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 7/20 0.44
ALOX15 P16050 3/20 0.44
LMNA P02545 3/20 0.43
CCR1 P32246 2/20 0.43
CCR5 P51681 2/20 0.43
CCR8 P51685 2/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
METAP1 P53582 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
DOHH Q9BU89 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
SMN1; SMN2 Q16637 8/20 0.42
HTT P42858 3/20 0.42
ALPL P05186 2/20 0.42

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
SCHEMBL3616834 0.81 KDM4E (0.77) KDM4ETDP1TP53ALDH1A1L3MBTL1
SCHEMBL11187544 0.77 KDM4E (0.53) KDM4ETDP1TP53L3MBTL1ALOX15
SCHEMBL1704219 0.77 KDM4E (0.69) KDM4ETDP1TP53ALDH1A1L3MBTL1
SCHEMBL11613627 0.77 KDM4E (0.57) KDM4ETDP1TP53ALDH1A1L3MBTL1
SCHEMBL5361682 0.75 KDM4E (0.55) KDM4ETDP1TP53ALDH1A1L3MBTL1
SCHEMBL18895753 0.74 KDM4E (0.59) KDM4ETDP1TP53ALDH1A1L3MBTL1
SCHEMBL9756610 0.74 GRM5 (0.60) KDM4ETDP1TP53ALDH1A1L3MBTL1
SCHEMBL9565604 0.73 KDM4E (0.53) KDM4ETDP1TP53ALDH1A1L3MBTL1
SCHEMBL18905446 0.73 KDM4E (0.63) KDM4ETDP1TP53ALDH1A1L3MBTL1
SCHEMBL5846342 0.73 KDM4E (0.57) KDM4ETDP1TP53ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9579325-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2017-02-28 US disclosed
US-20150126512-A1 Modulators Of TNF-Alpha Signaling GENZYME CORPORATION (US) 2015-05-07 US disclosed
US-8921547-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2014-12-30 US disclosed
US-20130310388-A1 Modulators of TNF-Alpha Signaling GENZYME CORPORATION (US) 2013-11-21 US disclosed
US-8518999-B2 Modulators of TNF-αsignaling GENZYME CORPORATION (US) 2013-08-27 US disclosed
US-20060173010-A1 Modulators of TNF-alpha signaling GENZYME 2006-08-03 US disclosed
US-7034031-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2006-04-25 US disclosed
US-6969728-B2 Antiinflammatory agents GENZYME CORPORATION (US) 2005-11-29 US disclosed
US-20040171617-A1 treatment for disorders and diseases, such as chronic inflammation, tissue breakdown and cancer GENZYME CORPORATION 2004-09-02 US disclosed
EP-1294699-A2 MODULATORS OF TNF- ALPHA SIGNALLING GENZYME CORPORATION (US) 2003-03-26 EP disclosed
US-20020119988-A1 Antiinflammatory agents GENZYME CORPORATION 2002-08-29 US disclosed
WO-2001087849-A2 MODULATORS OF TNF- ALPHA SIGNALING GENZYME CORPORATION (US) 2001-11-22 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 (5 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-20020119988-A1 Antiinflammatory agents TNF, TNFRSF1A, CD40 KDM4E 4319/4885TDP1 3193/4885TP53 4343/4885
US-20040171617-A1 treatment for disorders and diseases, such as chronic inflammation, tissue breakdown and cancer TNF, TNFRSF1A, CD40 KDM4E 3837/4885TDP1 2531/4885TP53 491/4885
US-20150126512-A1 Modulators Of TNF-Alpha Signaling TNF, TNFRSF1A, TNFRSF9 KDM4E 4252/4885TDP1 3459/4885TP53 2636/4885
US-20060173010-A1 Modulators of TNF-alpha signaling TNF, TNFRSF1A, TNFRSF9 KDM4E 4252/4885TDP1 3459/4885TP53 2636/4885
US-20130310388-A1 Modulators of TNF-Alpha Signaling TNF, TNFRSF1A, TNFRSF9 KDM4E 4252/4885TDP1 3459/4885TP53 2636/4885

“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.