Sugi Predict

Sugi Predict / Compounds / SCHEMBL554373

SCHEMBL554373

SCHEMBL554373

COc1cc(N)nc(C)c1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 12/20 0.54
▸ MAPK1 P28482 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ALDH1A1 P00352 8/20 0.44
▸ HPGD P15428 6/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ADORA1 P30542 5/20 0.42
▸ ADORA2A P29274 4/20 0.42
▸ RECQL P46063 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ USP2 O75604 2/20 0.40
▸ BLM P54132 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL17229358 0.81 KDM4E (0.57) KDM4EMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL1911806 0.80 ADORA1 (0.41) KDM4EMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL26542653 0.80 KDM4E (0.56) KDM4EMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL20168111 0.79 KDM4E (0.54) KDM4EMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL553686 0.77 KDM4E (0.55) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL30370553 0.77 KDM4E (0.55) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL554092 0.77 ALDH1A1 (0.42) KDM4EMAPK1ALDH1A1HPGDMEN1
SCHEMBL553997 0.76 MCHR1 (0.41) KDM4EMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL18315112 0.75 ALDH1A1 (0.38) KDM4ESMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL1909362 0.74 KDM4E (0.43) KDM4EMAPK1SMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10144746-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-12-04 — — US disclosed
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-07-12 — — US disclosed
US-9815853-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-11-14 — — US disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 — — US disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 — — US disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 — — US disclosed
WO-2016201052-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2016-12-15 — — WO disclosed
US-20160362427-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2016-12-15 — — US disclosed
US-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 — — US disclosed
US-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 — — US disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 — — US disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 — — US disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 — — US disclosed
EP-2601189-B1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2015-04-15 — — EP disclosed
EP-2601189-B1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2015-04-15 — — EP disclosed
EP-2601189-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN Novartis AG (CH) 2013-06-12 — — EP disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 — — US disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 — — US disclosed
WO-2012017020-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2012-02-09 — — WO disclosed
WO-2012017020-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2012-02-09 — — 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-10144746-B2 Bridged bicyclic kallikrein inhibitors KLKB1, KLK1, KLK2 KDM4E 927/4885MAPK1 2016/4885SMN1; SMN2 4494/4885
US-20160362427-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 KDM4E 927/4885MAPK1 2016/4885SMN1; SMN2 4494/4885
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS TPMT, DPYD, XDH KDM4E 4071/4885MAPK1 1161/4885SMN1; SMN2 1408/4885
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 KDM4E 927/4885MAPK1 2016/4885SMN1; SMN2 4494/4885
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES TPMT, REN, PNMT KDM4E 927/4885MAPK1 1733/4885SMN1; SMN2 2231/4885

“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.