SCHEMBL3484019

SCHEMBL3484019

O=C1NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.55
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 8/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.46
GPR55 Q9Y2T6 1/20 0.45
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
JAK2 O60674 1/20 0.41
NTRK1 P04629 1/20 0.41
MET P08581 1/20 0.41
FGFR1 P11362 1/20 0.41
PRKACA P17612 1/20 0.41
KDR P35968 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
SCHEMBL3484643 0.91 PDE7A (0.55) PDE7AKDM4EALDH1A1MAPTMEN1
SCHEMBL3484395 0.81 PDE7A (0.57) PDE7AKDM4EALDH1A1MAPTMEN1
SCHEMBL3484193 0.81 EGFR (0.49) PDE7AEGFRERBB2JAK2NTRK1
SCHEMBL3484533 0.80 PDE7A (0.53) PDE7AKDM4EALDH1A1MAPTMEN1
SCHEMBL2144234 0.79 CYP3A4 (0.54) ALDH1A1MAPTMEN1KMT2ALMNA
Methane SCHEMBL28101344 0.78 CYP3A4 (0.53) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3485185 0.77 KMT2A (0.54) PDE7AKDM4EALDH1A1MAPTMEN1
SCHEMBL3484816 0.77 KMT2A (0.54) PDE7AKDM4EALDH1A1MAPTMEN1
SCHEMBL3483943 0.77 EIF2AK2 (0.57) PDE7AKDM4EALDH1A1MAPTMEN1
SCHEMBL3484209 0.76 PDE7A (0.54) PDE7AKDM4EALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004238-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2103620-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-23 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 (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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND ERBB2, ROS1, FLT3 PDE7A 4340/4885KDM4E 621/4885ALDH1A1 2591/4885

“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.