SCHEMBL3454253

SCHEMBL3454253

CCN(CC)CCCC(C)Nc1nc(C=Cc2ccc([N+](=O)[O-])o2)nc2cc(Cl)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.62
▸ ERBB4 Q15303 2/20 0.62
▸ CSK P41240 1/20 0.62
▸ CAMK1G Q96NX5 1/20 0.62
▸ FLT3 P36888 4/20 0.57
▸ CCR4 P51679 2/20 0.54
▸ MELK Q14680 3/20 0.52
▸ LYN P07948 1/20 0.52
▸ FGFR1 P11362 1/20 0.52
▸ FER P16591 1/20 0.52
▸ MATK P42679 1/20 0.52
▸ BLK P51451 1/20 0.52
▸ BMX P51813 1/20 0.52
▸ TEK Q02763 1/20 0.52
▸ CAMK2G Q13555 1/20 0.52
▸ CAMK2D Q13557 1/20 0.52
▸ CAMK1 Q14012 1/20 0.52
▸ CYP2D6 P10635 2/20 0.47
▸ PRNP P04156 2/20 0.47
▸ CHRM2 P08172 2/20 0.47

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
SCHEMBL3454251 1.00 BTK (0.62) BTKERBB4CSKCAMK1GFLT3
SCHEMBL1612951 0.81 BTK (0.76) BTKERBB4CSKCAMK1GFLT3
SCHEMBL1612950 0.81 BTK (0.76) BTKERBB4CSKCAMK1GFLT3
SCHEMBL3536852 0.80 FLT3 (0.71) BTKERBB4CSKCAMK1GFLT3
SCHEMBL3536853 0.80 FLT3 (0.71) BTKERBB4CSKCAMK1GFLT3
SCHEMBL3542142 0.78 CCR4 (0.72) BTKERBB4CSKCAMK1GFLT3
SCHEMBL3542141 0.78 CCR4 (0.72) BTKERBB4CSKCAMK1GFLT3
SCHEMBL3541032 0.78 CCR4 (0.71) BTKERBB4CSKCAMK1GFLT3
SCHEMBL3541029 0.78 CCR4 (0.71) BTKERBB4CSKCAMK1GFLT3
SCHEMBL7619465 0.78 BTK (0.71) BTKERBB4CSKCAMK1GFLT3

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-20160058749-A1 TREATMENTS FOR NEUROPATHY CHILDRENS MEDICAL CENTER (US) 2016-03-03 — — US disclosed
WO-2014160811-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROPATHY CHILDREN'S MEDICAL CENTER CORPORATION (US) 2014-10-02 — — WO disclosed
EP-2240177-A2 TREATMENTS FOR NEUROPATHY Children's Medical Center Corporation (US) 2010-10-20 — — EP disclosed
WO-2009102570-A2 TREATMENTS FOR NEUROPATHY CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-08-20 — — 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-20160058749-A1 TREATMENTS FOR NEUROPATHY NGF, BDNF, NTRK2 BTK 4200/4885ERBB4 1119/4885CSK 3142/4885

“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.

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