SCHEMBL10179458

SCHEMBL10179458

CN(C)/C=C/c1cc(Br)ncc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.35
ALDH1A1 P00352 7/20 0.35
PTGS2 P35354 1/20 0.33
RAB9A P51151 3/20 0.33
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
MMP14 P50281 1/20 0.33
HTT P42858 3/20 0.32
KMT2A Q03164 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPK1 P28482 1/20 0.32
ERN1 O75460 2/20 0.32
CYP1A2 P05177 2/20 0.32
AAK1 Q2M2I8 1/20 0.31
MEN1 O00255 2/20 0.30
LMNA P02545 2/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
EGFR P00533 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL29709737 1.00 MAPT (0.35) MAPTALDH1A1PTGS2RAB9APOLB
SCHEMBL10179459 1.00 MAPT (0.35) MAPTALDH1A1PTGS2RAB9APOLB
SCHEMBL19015510 0.88 PTGS2 (0.39) MAPTALDH1A1PTGS2RAB9APOLB
SCHEMBL28172736 0.88 PTGS2 (0.39) MAPTALDH1A1PTGS2RAB9APOLB
SCHEMBL26690214 0.84 MAPT (0.36) MAPTALDH1A1PTGS2RAB9APOLB
SCHEMBL15536656 0.83 ERN1 (0.42) MAPTALDH1A1PTGS2POLBKMT2A
SCHEMBL15536657 0.83 ERN1 (0.42) MAPTALDH1A1PTGS2POLBKMT2A
SCHEMBL586887 0.82 MAPT (0.40) MAPTALDH1A1PTGS2RAB9APOLB
SCHEMBL31161596 0.82 ALDH1A1 (0.35) MAPTALDH1A1PTGS2RAB9APOLB
SCHEMBL30287122 0.82 MAPT (0.40) MAPTALDH1A1PTGS2RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643964-B2 3-(2-aminopyrimidin-4-yl)-5-(3-hydroxypropynyl)-1H-pyrrolo[2,3-C]pyridine derivatives as NIK inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2017-05-09 US disclosed
US-9643964-B2 3-(2-aminopyrimidin-4-yl)-5-(3-hydroxypropynyl)-1H-pyrrolo[2,3-C]pyridine derivatives as NIK inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2017-05-09 US disclosed
US-20160075699-A1 3-(2-AMINOPYRIMIDIN-4-YL)-5-(3-HYDROXYPROPYNYL)-1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA N.V. (BE) 2016-03-17 US disclosed
WO-2014174021-A1 3-(2-AMINOPYRIMIDIN-4-YL)-5-(3-HYDROXYPROPYNYL)-1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2014-10-30 WO disclosed
US-20140018380-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 RECEPTOR AGONISTS CENTAURUS BIOPHARMA CO., LTD. (CN) 2014-01-16 US disclosed
US-20140018380-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 RECEPTOR AGONISTS CENTAURUS BIOPHARMA CO., LTD. (CN) 2014-01-16 US disclosed
EP-2670746-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 RECEPTOR AGONISTS Centaurus Biopharma Co., Ltd. (CN) 2013-12-11 EP disclosed
US-20120245344-A1 GPR119 AGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2012-09-27 US disclosed
WO-2012103806-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 RECEPTOR AGONISTS CENTAURUS BIOPHARMA CO., LTD. (CN) 2012-08-09 WO disclosed
EP-2474540-A1 GPR119 AGONIST Nippon Chemiphar Co., Ltd. (JP) 2012-07-11 EP 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-20140018380-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 RECEPTOR AGONISTS GPR119, GPR88, GPR84 MAPT 4724/4885ALDH1A1 1357/4885PTGS2 1655/4885
US-20120245344-A1 GPR119 AGONIST GPR119, GPR4, GPR55 MAPT 4861/4885ALDH1A1 2871/4885PTGS2 2391/4885
US-20160075699-A1 3-(2-AMINOPYRIMIDIN-4-YL)-5-(3-HYDROXYPROPYNYL)-1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS FOR THE TREATMENT OF CANCER NFKBIA, IKBKG, MAP3K14 MAPT 2472/4885ALDH1A1 3822/4885PTGS2 680/4885

“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.