SCHEMBL3864409

SCHEMBL3864409

COc1ccc([N+](=O)[O-])cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.66
BCR P11274 14/20 0.66
PRKCA P17252 5/20 0.66
EGFR P00533 1/20 0.66
SRC P12931 1/20 0.66
PRKD3 O94806 1/20 0.61
PRKCG P05129 1/20 0.61
PRKCB P05771 1/20 0.61
LCK P06239 1/20 0.61
PRKCH P24723 1/20 0.61
PRKCI P41743 1/20 0.61
ZAP70 P43403 1/20 0.61
PRKCE Q02156 1/20 0.61
PRKCQ Q04759 1/20 0.61
PRKCZ Q05513 1/20 0.61
PRKCD Q05655 1/20 0.61
PRKD1 Q15139 1/20 0.61
PLK1 P53350 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PIK3CA P42336 1/20 0.54

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
SCHEMBL29364396 0.86 ABL1 (0.69) ABL1BCRPRKCAEGFRSRC
SCHEMBL1550 0.86 ABL1 (0.69) ABL1BCRPRKCAEGFRSRC
Water SCHEMBL28827802 0.85 ABL1 (0.68) ABL1BCRPRKCAEGFRSRC
SCHEMBL13899260 0.84 ABL1 (0.67) ABL1BCRPRKCAEGFRSRC
SCHEMBL3861941 0.84 ABL1 (0.69) ABL1BCRPRKCAEGFRSRC
SCHEMBL3064076 0.84 ABL1 (0.66) ABL1BCRPRKCAEGFRSRC
SCHEMBL29855956 0.83 ABL1 (0.67) ABL1BCRPRKCAEGFRSRC
SCHEMBL3009103 0.83 ABL1 (0.67) ABL1BCRPRKCAEGFRSRC
SCHEMBL3869178 0.83 ABL1 (0.74) ABL1BCRPRKCAEGFRSRC
Alcohol SCHEMBL28827807 0.82 ABL1 (0.63) ABL1BCRPRKCAEGFRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595323-B2 N-phenyl-2-pyrimidine-amine derivatives and process for the preparation thereof IL YANG PHARM. CO., LTD. (KR) 2009-09-29 US disclosed
US-20040248918-A1 Anticancer agents IL YANG PHARM. CO., LTD. 2004-12-09 US disclosed
WO-2004099187-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF IL YANG PHARM. CO. LTD. (KR) 2004-11-18 WO disclosed
WO-2004099186-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF IL YANG PHARM CO., LTD. (KR) 2004-11-18 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 (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-20040248918-A1 Anticancer agents BRDT, CHIA, RNASE1 ABL1 1106/4885BCR 2730/4885PRKCA 2433/4885

“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.