SCHEMBL3484005

SCHEMBL3484005

Cn1ncc2c(Oc3ccc(N)cc3Cl)cccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
CCR4 P51679 2/20 0.39
SCN9A Q15858 3/20 0.36
RHEB Q15382 3/20 0.36
ESRRA P11474 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MPO P05164 2/20 0.34
BCDIN3D Q7Z5W3 2/20 0.34
BPTF Q12830 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32

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
SCHEMBL3484323 0.80 RHEB (0.54) EGFRERBB2RHEBESRRAMEN1
SCHEMBL3483787 0.74 MEN1 (0.39) EGFRERBB2MEN1KMT2A
SCHEMBL3484335 0.73 EGFR (0.80) EGFRERBB2
SCHEMBL3484572 0.72 ESRRA (0.56) SCN9ARHEBESRRA
SCHEMBL1964539 0.72 CYP3A4 (0.56) MEN1KMT2A
SCHEMBL3403550 0.71 EGFR (0.48) EGFRERBB2RHEBESRRA
SCHEMBL3484118 0.71 NOS1 (0.50) EGFRERBB2RHEBMEN1KMT2A
SCHEMBL3484180 0.71 BRD4 (0.39) SCN9ARHEBESRRAMEN1KMT2A
SCHEMBL3484744 0.71 EPHB3 (0.39) EGFRERBB2MEN1KMT2A
SCHEMBL3484540 0.71 HTR2C (0.49) EGFRERBB2RHEB

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 EGFR 13/4885ERBB2 1/4885CCR4 2976/4885

“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.