SCHEMBL7944361

SCHEMBL7944361

Cc1onc(N)c1-c1ccc(O)c(I)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.55
ERN1 O75460 1/20 0.46
JAK2 O60674 1/20 0.45
BRD4 O60885 13/20 0.40
BRD2 P25440 4/20 0.40
BRD3 Q15059 2/20 0.40
HSP90AB1 P08238 1/20 0.37
DYRK1A Q13627 1/20 0.36
CREBBP Q92793 3/20 0.35

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
SCHEMBL10200524 0.77 MAP4K4 (0.56) MAP4K4JAK2BRD4BRD2HSP90AB1
SCHEMBL8784588 0.70 MAP4K4 (0.69) MAP4K4BRD4BRD2HSP90AB1
SCHEMBL19880348 0.68 APP (0.55)
SCHEMBL15836992 0.66 MAP4K4 (0.47) MAP4K4JAK2BRD4
SCHEMBL5218211 0.66 MAP4K4 (0.66) MAP4K4JAK2BRD4BRD2DYRK1A
SCHEMBL5888090 0.66 MAP4K4 (0.66) MAP4K4JAK2BRD4BRD2DYRK1A
SCHEMBL19314123 0.65 HSD17B1 (0.55)
SCHEMBL5218215 0.65 MAP4K4 (0.64) MAP4K4JAK2BRD4BRD2CREBBP
SCHEMBL15815842 0.65 MAP4K4 (0.49) MAP4K4JAK2BRD4BRD2BRD3
SCHEMBL8994752 0.65 SNCA (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
WO-2010054278-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-05-14 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 MAP4K4 3120/4885ERN1 2641/4885JAK2 547/4885

“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.