SCHEMBL3327607

SCHEMBL3327607

NNc1nc(Cl)nc(N2CCOCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
GAA P10253 3/20 0.55
ALDH1A1 P00352 2/20 0.55
PTGS2 P35354 3/20 0.49
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 5/20 0.45
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL1443735 0.88 LMNA (0.61) LMNASMN1; SMN2GAAALDH1A1MAPT
SCHEMBL11615257 0.88 LMNA (0.66) LMNASMN1; SMN2GAAALDH1A1MAPT
SCHEMBL12490124 0.83 SMN1; SMN2 (0.63) LMNASMN1; SMN2GAAALDH1A1PTGS2
SCHEMBL1308905 0.82 MAPT (0.61) LMNASMN1; SMN2GAAALDH1A1MAPT
SCHEMBL38827 0.82 MAPT (0.57) LMNASMN1; SMN2GAAALDH1A1PTGS2
SCHEMBL1443608 0.80 ALDH1A1 (0.55) LMNASMN1; SMN2GAAALDH1A1MAPT
SCHEMBL30010865 0.78 PIK3CA (0.49) LMNASMN1; SMN2PTGS2MAPTL3MBTL1
SCHEMBL6242163 0.78 PIK3CA (0.49) LMNASMN1; SMN2PTGS2MAPTL3MBTL1
SCHEMBL18383753 0.77 MAPT (0.51) SMN1; SMN2GAAALDH1A1PTGS2MAPT
SCHEMBL23326428 0.77 PTGS2 (0.68) LMNASMN1; SMN2ALDH1A1PTGS2MAPT

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
US-20100130473-A1 COMPOUNDS HUMMERSONE MARC GEOFFREY 2010-05-27 US disclosed
US-20100130473-A1 COMPOUNDS HUMMERSONE MARC GEOFFREY 2010-05-27 US disclosed
US-20100130473-A1 COMPOUNDS HUMMERSONE MARC GEOFFREY 2010-05-27 US disclosed
US-7504397-B2 mTOR inhibitor compounds KUDOS PHARMACEUTICALS LTD. (GB) 2009-03-17 US disclosed
US-7504397-B2 mTOR inhibitor compounds KUDOS PHARMACEUTICALS LTD. (GB) 2009-03-17 US disclosed
US-7504397-B2 mTOR inhibitor compounds KUDOS PHARMACEUTICALS LTD. (GB) 2009-03-17 US disclosed
US-20060199804-A1 Compounds KUDOS PHARMACEUTICALS LTD (GB) 2006-09-07 US disclosed
WO-2006090167-A2 HYDRAZINOMETHYL, HYDR ZONOMETHYL AND 5-MEMBERED HETEROCYLIC COMPOUNDS WHICH ACT AS MTOR INHIBITORS AND THEIR USE AS ANTI CANCER AGENTS KUDOS PHARMACEUTICALS LIMITED (GB) 2006-08-31 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 (2 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-20060199804-A1 Compounds CA4, CA6, CYP2B6 LMNA 2032/4885SMN1; SMN2 3727/4885GAA 3914/4885
US-20100130473-A1 COMPOUNDS CA6, CYP2B6, CA4 LMNA 2245/4885SMN1; SMN2 3985/4885GAA 3830/4885

“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.