SCHEMBL1318490

SCHEMBL1318490

Nc1nc(Cl)cc(N2CCCCCC2)n1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.70
CYP2D6 P10635 2/20 0.70
MAPT P10636 2/20 0.70
SMN1; SMN2 Q16637 3/20 0.64
CRHBP P24387 1/20 0.64
CRHR2 Q13324 1/20 0.64
HRH4 Q9H3N8 5/20 0.61
KMT2A Q03164 3/20 0.59
NUDT1 P36639 3/20 0.58
LMNA P02545 4/20 0.55
TSHR P16473 2/20 0.55
HTT P42858 2/20 0.55
USP2 O75604 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL1320033 1.00 CYP1A2 (0.70) CYP1A2CYP2D6MAPTSMN1; SMN2CRHBP
SCHEMBL3719291 0.98 MAPT (0.72) CYP1A2CYP2D6MAPTSMN1; SMN2CRHBP
SCHEMBL1318180 0.94 MAPT (0.72) CYP1A2CYP2D6MAPTSMN1; SMN2CRHBP
SCHEMBL1774506 0.84 HRH4 (0.71) CYP1A2CYP2D6MAPTHRH4KMT2A
SCHEMBL1028538 0.82 CYP1A2 (1.00) CYP1A2CYP2D6MAPTCRHBPCRHR2
SCHEMBL8565532 0.82 HRH4 (0.72) CYP1A2CYP2D6MAPTSMN1; SMN2HRH4
SCHEMBL1024211 0.82 HRH4 (0.70) CYP1A2CYP2D6MAPTHRH4KMT2A
SCHEMBL6402539 0.81 SMN1; SMN2 (0.50) CYP1A2CYP2D6MAPTSMN1; SMN2CRHBP
SCHEMBL4116293 0.81 CYP1A2 (0.48) CYP1A2CYP2D6MAPTSMN1; SMN2CRHBP
SCHEMBL31503138 0.81 HRH4 (0.68) CYP1A2SMN1; SMN2CRHBPCRHR2HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 CYP1A2 1859/4885CYP2D6 1500/4885MAPT 3565/4885

“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.