SCHEMBL2254342

SCHEMBL2254342

Nc1nc2c(-c3ccc(F)cc3)cccn2n1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.72
NUDT1 P36639 1/20 0.55
JAK3 P52333 9/20 0.52
JAK1 P23458 1/20 0.52
ALDH1A3 P47895 2/20 0.47
PTK2 Q05397 5/20 0.46
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
ADORA1 P30542 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
SCHEMBL3260453 0.86 JAK2 (0.72) JAK2NUDT1JAK3JAK1PTK2
SCHEMBL15796859 0.86 JAK2 (0.72) JAK2NUDT1JAK3JAK1ALDH1A3
SCHEMBL18367046 0.85 JAK2 (0.77) JAK2NUDT1JAK3JAK1ALDH1A3
SCHEMBL2257705 0.85 JAK2 (0.64) JAK2NUDT1JAK3JAK1PTK2
SCHEMBL2251442 0.84 JAK2 (0.70) JAK2NUDT1JAK3JAK1ALDH1A3
SCHEMBL3260096 0.84 JAK2 (0.70) JAK2NUDT1JAK3JAK1PTK2
SCHEMBL12517030 0.84 JAK2 (0.63) JAK2NUDT1JAK3JAK1PTK2
SCHEMBL2640589 0.84 JAK2 (1.00) JAK2NUDT1JAK3JAK1PTK2
SCHEMBL18615164 0.84 JAK2 (0.67) JAK2NUDT1JAK3JAK1PTK2
SCHEMBL18615199 0.83 JAK2 (0.64) JAK2NUDT1JAK3JAK1PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339161-B2 Triazolo pyridines as modulators of gamma-secretase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-24 US disclosed
EP-3672971-B1 TRIAZOLO PYRIDINES AS MODULATORS OF GAMMA-SECRETASE BOEHRINGER INGELHEIM INT (DE) 2021-07-14 EP disclosed
US-20210017173-A1 TRIAZOLO PYRIDINES AS MODULATORS OF GAMMA-SECRETASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-21 US disclosed
CN-111465603-A Triazolopyridines as gamma-secretase modulators 勃林格殷格翰国际有限公司 2020-07-28 CN disclosed
EP-3672971-A1 TRIAZOLO PYRIDINES AS MODULATORS OF GAMMA-SECRETASE Boehringer Ingelheim International GmbH (DE) 2020-07-01 EP disclosed
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
US-9145399-B2 Substituted bicyclic triazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-09-29 US disclosed
US-9145399-B2 Substituted bicyclic triazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-09-29 US disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-20120295901-A1 NOVEL SUBSTITUTED BICYCLIC TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-11-22 US disclosed
US-20120295901-A1 NOVEL SUBSTITUTED BICYCLIC TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-11-22 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
WO-2011101304-A2 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 US disclosed
WO-2011092272-A1 GAMMA SECRETASE MODULATERS F. HOFFMANN-LA ROCHE AG (CH) 2011-08-04 WO disclosed
US-20110190269-A1 GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2011-08-04 US disclosed
WO-2011086098-A1 NOVEL SUBSTITUTED BICYCLIC TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-07-21 WO disclosed
WO-2011006903-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-01-20 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-20210017173-A1 TRIAZOLO PYRIDINES AS MODULATORS OF GAMMA-SECRETASE BACE1, BACE2, APP JAK2 4676/4885NUDT1 3445/4885JAK3 4393/4885
US-20110190269-A1 GAMMA SECRETASE MODULATORS BACE1, APH1A, APH1B JAK2 4637/4885NUDT1 1834/4885JAK3 4543/4885
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A JAK2 4166/4885NUDT1 2016/4885JAK3 2640/4885
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 JAK2 3153/4885NUDT1 1439/4885JAK3 4312/4885
US-20120295901-A1 NOVEL SUBSTITUTED BICYCLIC TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A JAK2 4105/4885NUDT1 2255/4885JAK3 3487/4885
US-11339161-B2 Triazolo pyridines as modulators of gamma-secretase BACE1, BACE2, APP JAK2 4676/4885NUDT1 3445/4885JAK3 4393/4885

“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.