SCHEMBL3484554

SCHEMBL3484554

O=[N+]([O-])c1ccc(Oc2ccnc3[nH]ccc23)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
PDE7A Q13946 1/20 0.47
AXL P30530 1/20 0.44
PRKCI P41743 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
ROCK2 O75116 3/20 0.43
MET P08581 5/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL30844464 1.00 KMT2A (0.52) KMT2AMEN1PDE7AAXLPRKCI
SCHEMBL4249568 0.86 MET (0.55) ROCK2MET
SCHEMBL29631514 0.86 MET (0.55) ROCK2MET
SCHEMBL4251954 0.85 AXL (0.43) AXLPRKCIROCK2METTTBK1
SCHEMBL20589193 0.83 CYP1A2 (0.48) ROCK2METCYP1A2CYP2C9CYP2C19
SCHEMBL1893699 0.81 TTBK1 (0.58) METTTBK1TTBK2
SCHEMBL29631643 0.81 TTBK1 (0.58) METTTBK1TTBK2
SCHEMBL3485162 0.79 ROCK2 (0.52) AXLPRKCIROCK2METCYP3A4
SCHEMBL3483984 0.78 RHEB (0.66) KMT2AMEN1PDE7AGAAPKM
SCHEMBL11511746 0.77 PDE7A (0.71) KMT2AMEN1PDE7AGAAPKM

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
CN-117843567-A Diazaaryl ring substituted benzene derivatives, compositions and uses thereof 康迈迪森(北京)医药科技有限公司 2024-04-09 CN disclosed
US-20100004238-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
CN-101611041-A Condensed heterocyclic compouds TAKEDA PHARMACEUTICAL (JP) 2009-12-23 CN 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 KMT2A 300/4885MEN1 2063/4885PDE7A 4340/4885

“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.