SCHEMBL522335

SCHEMBL522335

O=[N+]([O-])c1ccn(CCN2CCOCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.49
POLB P06746 5/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
KCNJ1 P48048 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
NR5A2 O00482 1/20 0.44
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.41

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
SCHEMBL18029680 0.87 PKM (0.60) PKMPOLBKMT2AMEN1ALDH1A1
SCHEMBL18235383 0.85 PKM (0.49) PKMPOLBKMT2AALDH1A1LMNA
SCHEMBL31052729 0.82 GAA (0.57) PKMPOLBKMT2AMEN1LMNA
SCHEMBL18227953 0.81 PKM (0.45) PKMPOLBKMT2AMEN1ALDH1A1
SCHEMBL15412963 0.78 PKM (0.58) PKMPOLBKMT2AALDH1A1LMNA
SCHEMBL520939 0.78 PKM (0.76) PKMPOLBKMT2AMEN1ALDH1A1
SCHEMBL521032 0.75 LMNA (0.48) PKMPOLBKMT2AMEN1ALDH1A1
SCHEMBL13011203 0.74 POLB (0.49) PKMPOLBKMT2AMEN1ALDH1A1
SCHEMBL2661411 0.74 PKM (0.52) PKMPOLBKMT2AMEN1ALDH1A1
SCHEMBL16943108 0.74 POLB (0.49) PKMPOLBKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332905-A (S) -N-phenyl-1- (pyridin-2-yl) pyrrolidine-2-carboxamide derivatives 上海翊石医药科技有限公司 2023-06-27 CN disclosed
EP-3860976-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS ICHNOS SCIENCES S.A. (CH) 2021-08-11 EP disclosed
CN-113227049-A Indolinone compounds as MAP4K1 inhibitors 艾科诺斯科技股份有限公司 2021-08-06 CN disclosed
WO-2020070331-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS ICHNOS SCIENCES S.A. (CH) 2020-04-09 WO disclosed
US-10414769-B2 5,8-dimethyl-9-phenyl-5,8-dihydro-6H-pyrazolo[3,4-h]quinazolin-2-yl)-(1H-pyrazol-3-yl)-amines as IGF-1R/IR inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-09-17 US disclosed
US-20180141948-A1 NEW 5,8-DIMETHYL-9-PHENYL-5,8-DIHYDRO-6H-PYRAZOLO[3,4-H]QUINAZOLIN-2-YL)-(1H-PYRAZOL-3-YL)-AMINES AND DERIVATIVES AS IGF-1R/IR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-05-24 US disclosed
US-20180141948-A1 NEW 5,8-DIMETHYL-9-PHENYL-5,8-DIHYDRO-6H-PYRAZOLO[3,4-H]QUINAZOLIN-2-YL)-(1H-PYRAZOL-3-YL)-AMINES AND DERIVATIVES AS IGF-1R/IR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-05-24 US disclosed
WO-2016180843-A1 NEW 5,8-DIMETHYL-9-PHENYL-5,8-DIHYDRO-6H-PYRAZOLO[3,4-H]QUINAZOLIN-2- YL)-(1 H-PYRAZOL-3-YL)-AMINES AND DERIVATIVES AS IGF-1 R/IR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-11-17 WO disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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 (3 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-10414769-B2 5,8-dimethyl-9-phenyl-5,8-dihydro-6H-pyrazolo[3,4-h]quinazolin-2-yl)-(1H-pyrazol-3-yl)-amines as IGF-1R/IR inhibitors IGF1R, IGFBP1, INSR PKM 862/4885POLB 2901/4885KMT2A 2028/4885
US-20180141948-A1 NEW 5,8-DIMETHYL-9-PHENYL-5,8-DIHYDRO-6H-PYRAZOLO[3,4-H]QUINAZOLIN-2-YL)-(1H-PYRAZOL-3-YL)-AMINES AND DERIVATIVES AS IGF-1R/IR INHIBITORS IGF1R, IGFBP1, IRS1 PKM 1265/4885POLB 3153/4885KMT2A 2179/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 PKM 2336/4885POLB 860/4885KMT2A 114/4885

“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.