SCHEMBL5361682

SCHEMBL5361682

CSc1nccc(-c2ccccn2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
LMNA P02545 5/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
CCR1 P32246 3/20 0.55
CCR5 P51681 3/20 0.55
CCR8 P51685 3/20 0.55
TP53 P04637 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
ALOX15 P16050 2/20 0.55
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 2/20 0.55
ALPL P05186 1/20 0.55
HSP90AA1 P07900 1/20 0.55
ALPI P09923 1/20 0.55
ALPG P10696 1/20 0.55
POLB P06746 2/20 0.52
CYP1A2 P05177 1/20 0.52
METAP1 P53582 1/20 0.52
BLM P54132 1/20 0.52

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
SCHEMBL3577722 0.81 CCR1 (0.59) KDM4ELMNAL3MBTL1CCR1CCR8
SCHEMBL14350440 0.81 KDM4E (0.50) KDM4ELMNAL3MBTL1CCR1CCR5
SCHEMBL1034731 0.79 DUSP10 (0.54) KDM4ELMNAL3MBTL1TP53TDP1
SCHEMBL30644405 0.79 LMNA (0.44) KDM4ELMNAL3MBTL1CCR1CCR8
SCHEMBL26644234 0.79 LMNA (0.44) KDM4ELMNAL3MBTL1CCR1CCR8
SCHEMBL28286847 0.79 LMNA (0.44) KDM4ELMNAL3MBTL1TDP1MAPK1
SCHEMBL18210579 0.78 LMNA (0.46) KDM4ELMNAL3MBTL1TDP1HTT
SCHEMBL1181563 0.77 KDM4E (0.88) KDM4ELMNAL3MBTL1CCR1CCR5
SCHEMBL9864937 0.75 HSP90AA1 (0.48) KDM4ELMNAL3MBTL1CCR1CCR8
SCHEMBL5846199 0.75 KDM4E (0.52) KDM4ELMNAL3MBTL1CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106659721-A Process for the preparation of a medicament 基因泰克公司 2017-05-10 CN disclosed
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-7238697-B2 Pyridylpyrimidines for use as pesticides BAYER CROPSCIENCE AG (DE) 2007-07-03 US disclosed
US-7238697-B2 Pyridylpyrimidines for use as pesticides BAYER CROPSCIENCE AG (DE) 2007-07-03 US disclosed
US-7238697-B2 Pyridylpyrimidines for use as pesticides BAYER CROPSCIENCE AG (DE) 2007-07-03 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
US-20040077641-A1 Pyridyl pyrimidines for use as pesticides BAYER CROPSCIENCE AG (DE) 2004-04-22 US disclosed
EP-1367893-A1 PYRIDYL PYRIMIDINES FOR USE AS PESTICIDES Bayer CropScience AG (DE) 2003-12-10 EP disclosed
EP-1294699-A2 MODULATORS OF TNF- ALPHA SIGNALLING GENZYME CORPORATION (US) 2003-03-26 EP disclosed
WO-2002067684-A1 PYRIDYL PYRIMIDINES FOR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2002-09-06 WO 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 (6 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 4319/4885LMNA 3290/4885L3MBTL1 4750/4885
US-20040171617-A1 treatment for disorders and diseases, such as chronic inflammation, tissue breakdown and cancer TNF, TNFRSF1A, CD40 KDM4E 3837/4885LMNA 2332/4885L3MBTL1 3443/4885
US-20150126512-A1 Modulators Of TNF-Alpha Signaling TNF, TNFRSF1A, TNFRSF9 KDM4E 4252/4885LMNA 2549/4885L3MBTL1 4543/4885
US-20060173010-A1 Modulators of TNF-alpha signaling TNF, TNFRSF1A, TNFRSF9 KDM4E 4252/4885LMNA 2549/4885L3MBTL1 4543/4885
US-20040077641-A1 Pyridyl pyrimidines for use as pesticides PNPO, P2RX6, P2RX1 KDM4E 2707/4885LMNA 3538/4885L3MBTL1 937/4885
US-20130310388-A1 Modulators of TNF-Alpha Signaling TNF, TNFRSF1A, TNFRSF9 KDM4E 4252/4885LMNA 2549/4885L3MBTL1 4543/4885

“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.