SCHEMBL1885358

SCHEMBL1885358

Nc1ncc(-c2cccc([N+](=O)[O-])c2)c(N)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.60
LMNA P02545 2/20 0.53
MAPT P10636 1/20 0.53
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP1A2 P05177 1/20 0.49
ALDH1A1 P00352 3/20 0.48
PDE4D Q08499 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
PKM P14618 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ROCK1 Q13464 1/20 0.47
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46

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
SCHEMBL29671266 1.00 DHFR (0.60) DHFRLMNAMAPTNPC1RAB9A
SCHEMBL28059284 0.87 CYP1A2 (0.61) DHFRLMNAMAPTNPC1RAB9A
SCHEMBL29671310 0.82 MEN1 (0.63) DHFRLMNAMAPTNPC1RAB9A
SCHEMBL1881114 0.82 MEN1 (0.63) DHFRLMNAMAPTNPC1RAB9A
SCHEMBL6829018 0.81 PDE4D (0.56) LMNAMAPTNPC1RAB9AALDH1A1
SCHEMBL30401146 0.77 DHFR (0.71) DHFR
SCHEMBL1388358 0.77 DHFR (0.71) DHFR
SCHEMBL23293733 0.77 MAP4K4 (0.59) LMNAMAPTALDH1A1PDE4DMGAM
SCHEMBL27612796 0.76 TDP1 (0.62) DHFRLMNAMAPTNPC1RAB9A
SCHEMBL4706796 0.75 PLK1 (0.61) LMNAMAPTNPC1RAB9APDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012115479-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-08-30 WO claimed
WO-2019177374-A1 2, 4, 5-SUBSTITUTED PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER OR INFLAMMATORY DISEASE 포로노이바이오 주식회사 2019-09-19 WO disclosed
CN-105384695-A Pyrimidine derivative, preparation method therefor and application thereof in medicine SICHUAN HAISCO PHARMACEUTICAL CO LTD 2016-03-09 CN disclosed
CN-101370792-B Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN INC 2013-03-20 CN disclosed
WO-2012115479-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-08-30 WO disclosed
US-20110256092-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2011-10-20 US disclosed
US-7939546-B2 Quinoline derivatives for modulating DNA methylation SUPERGEN, INC. (US) 2011-05-10 US disclosed
CN-101370792-A Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN INC (US) 2009-02-18 CN 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 (1 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-20110256092-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L DHFR 261/4885LMNA 1408/4885MAPT 3156/4885

“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.