SCHEMBL4332876

SCHEMBL4332876

CC(CNc1ccc([N+](=O)[O-])cc1)C(C)(C)N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.47
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX12 P18054 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GLA P06280 2/20 0.43
KCNH3 Q9ULD8 1/20 0.43
PTPN1 P18031 2/20 0.42
PTPRF P10586 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN11 Q06124 1/20 0.42
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42

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
SCHEMBL6563884 0.81 MAPT (0.61) MAPTALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL8635097 0.80 MAPT (0.65) MAPTALDH1A1SMN1; SMN2HPGDMEN1
Ammonia Solution, Strong SCHEMBL6701329 0.79 MAPT (0.62) MAPTALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL14594045 0.78 MAPT (0.61) MAPTALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL4696380 0.78 MAPT (0.61) MAPTALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL30800484 0.78 MAPT (0.61) MAPTALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL9820267 0.78 MAPT (0.61) MAPTALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL3609027 0.76 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL4616467 0.76 MAPT (0.59) MAPTALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL11214950 0.75 MAPT (0.57) MAPTALDH1A1SMN1; SMN2HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024094963-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-05-10 WO disclosed
EP-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 EP disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 US disclosed
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 EP disclosed
WO-2012161812-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-11-29 WO disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 US disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US 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 (2 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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 MAPT 1103/4885ALDH1A1 2736/4885SMN1; SMN2 3693/4885
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 MAPT 2484/4885ALDH1A1 2764/4885SMN1; SMN2 4573/4885

“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.