SCHEMBL1495350

SCHEMBL1495350

Nc1ccc2[nH]ncc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ROCK2 O75116 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ ROCK1 Q13464 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ PKM P14618 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CHEK1 O14757 1/20 0.42
▸ BACE1 P56817 5/20 0.40
▸ NCF1 P14598 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ IDO1 P14902 1/20 0.40

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
SCHEMBL10806951 0.78 NOS1 (0.48) KDM4EMEN1MAPTKMT2AROCK2
SCHEMBL29509974 0.74 NOS1 (0.48) KDM4EMEN1MAPTKMT2AROCK2
SCHEMBL31414356 0.74 HSP90AA1 (0.40) KDM4EMEN1MAPTKMT2AROCK2
SCHEMBL22941283 0.74 HSP90AA1 (0.40) KDM4EMEN1MAPTKMT2AROCK2
SCHEMBL460550 0.74 HSP90AA1 (0.40) KDM4EMEN1MAPTKMT2AROCK2
SCHEMBL503223 0.74 NOS1 (0.48) KDM4EMEN1MAPTKMT2AROCK2
SCHEMBL8296672 0.74 RAB9A (0.41) KDM4EMEN1MAPTKMT2AROCK2
SCHEMBL21951135 0.74 NOS1 (0.48) KDM4EMEN1MAPTKMT2AROCK2
SCHEMBL24127733 0.71 NAMPT (0.45) KDM4EMEN1MAPTKMT2AROCK2
SCHEMBL29720621 0.71 NAMPT (0.45) KDM4EMEN1MAPTKMT2AROCK2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
WO-2017220431-A1 FUSED PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2017-12-28 — — WO disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
CN-104130255-A Pyrazolopyridine compound and preparation method thereof SPHINX SCIENT LAB CORP 2014-11-05 — — CN disclosed
US-8394795-B2 Pyrazole [3, 4-B] pyridine Raf inhibitors ARRAY BIOPHARMA INC. (US) 2013-03-12 — — US disclosed
EP-2265610-B1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-12-12 — — EP disclosed
EP-2470532-A1 1H-PYRAZOLO [ 3, 4-B]PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE Array Biopharma, Inc. (US) 2012-07-04 — — EP disclosed
US-20120157452-A1 1H-PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE GENENTECH, INC. (US) 2012-06-21 — — US disclosed
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-04-21 — — US disclosed
WO-2011025968-A1 1H-PYRAZOLO [ 3, 4-B] PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE ARRAY BIOPHARMA INC. (US) 2011-03-03 — — WO disclosed
EP-2265610-A1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 — — EP disclosed
WO-2009111279-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 — — 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-20120157452-A1 1H-PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE BRAF, RAF1, ARAF KDM4E 2954/4885MEN1 1472/4885MAPT 1045/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM4E 950/4885MEN1 3676/4885MAPT 267/4885
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM4E 1355/4885MEN1 3093/4885MAPT 306/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM4E 950/4885MEN1 3676/4885MAPT 267/4885
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS BRAF, RAF1, ARAF KDM4E 3485/4885MEN1 1680/4885MAPT 946/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KDM4E 950/4885MEN1 3676/4885MAPT 267/4885

“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.

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