SCHEMBL748039

SCHEMBL748039

CCNc1cncc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
HTT P42858 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ROCK2 O75116 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
ROCK1 Q13464 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL1419363 0.84 KDM4E (0.41) KDM4EPOLBHCAR2HTTSMN1; SMN2
SCHEMBL1419851 0.81 CHRNB2 (0.43) KDM4EPOLBHCAR2HTTSMN1; SMN2
SCHEMBL19446092 0.77 ATM (0.37) HCAR2HTTMAPTRAB9ACYP1A2
SCHEMBL24670650 0.76 KDM4E (0.41) KDM4EPOLBHCAR2HTTSMN1; SMN2
SCHEMBL30811855 0.76 EGFR (0.38) KDM4EPOLBHCAR2HTTSMN1; SMN2
SCHEMBL31313551 0.76 HTR7 (0.38) KDM4EHTTSMN1; SMN2MAPTRAB9A
SCHEMBL23912766 0.76 KDM4E (0.34) KDM4EHTTSMN1; SMN2MAPTRAB9A
SCHEMBL15365377 0.76 KDR (0.43) HTTSMN1; SMN2CYP2C19EGFR
SCHEMBL1621517 0.76
SCHEMBL25124433 0.75 EGFR (0.38) KDM4EPOLBHCAR2ALDH1A1EGFR

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-20140275175-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-18 US disclosed
US-20140275175-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-18 US disclosed
US-20140275175-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-18 US disclosed
EP-2755963-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-07-23 EP disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
WO-2013037779-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-21 WO disclosed
CN-102459223-A 5-pyridin-3-yl-1, 3-dihydro-indol-2-one derivatives and their use as aldosterone synthase and/or CYP11B1 modulators NOVARTIS AG 2012-05-16 CN disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 US disclosed
EP-2430011-A1 5-PYRIDIN-3-YL-1,3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 Novartis AG (CH) 2012-03-21 EP disclosed
WO-2010130794-A1 5-PYRIDIN-3-YL-1,3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2010-11-18 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-20140275175-A1 ORGANIC COMPOUNDS CYP11B2, CYP11B1, SLCO1B1 KDM4E 3030/4885POLB 1534/4885HCAR2 804/4885
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 CYP11B1, HSD11B1, CYP11B2 KDM4E 2356/4885POLB 2259/4885HCAR2 1101/4885

“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.