SCHEMBL1483489

SCHEMBL1483489

CNC(=O)Cc1ncccn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
LMNA P02545 2/20 0.42
P2RX7 Q99572 2/20 0.39
PKM P14618 2/20 0.39
PLK1 P53350 1/20 0.39
GAA P10253 2/20 0.38
SLC6A3 Q01959 1/20 0.38
PSMB8 P28062 1/20 0.36
PSMB5 P28074 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NTRK1 P04629 2/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL13359194 0.79 LMNA (0.41) HTTLMNAP2RX7GAAPOLB
SCHEMBL1032275 0.76 SMN1; SMN2 (0.53) LMNAALDH1A1POLBTDP1SMN1; SMN2
SCHEMBL1719924 0.75 LMNA (0.47) HTTLMNAP2RX7ALDH1A1
SCHEMBL11714467 0.74 HSP90AB1 (0.44) HTTLMNAP2RX7PKMALDH1A1
SCHEMBL5094342 0.74 P2RX7 (0.41) HTTLMNAP2RX7PKMGAA
SCHEMBL536418 0.74 P2RX7 (0.35) HTTLMNAP2RX7PKMPLK1
SCHEMBL17033024 0.74 ANO1 (0.43) HTTLMNAPOLB
SCHEMBL8570752 0.74 P2RX7 (0.47) HTTLMNAP2RX7PKMGAA
SCHEMBL8572812 0.74 KEAP1 (0.44) HTTP2RX7PKMALDH1A1SMN1; SMN2
SCHEMBL30193187 0.72 LMNA (0.50) HTTLMNAP2RX7GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431556-B2 C-21-keto lupane derivatives preparation and use thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-30 US disclosed
US-20110077228-A1 NOVEL C-21-KETO LUPANE DERIVATIVES PREPARATION AND USE THEREOF MOINET CHRISTOPHE 2011-03-31 US disclosed
US-7666869-B2 to provide an aliphatic nitrogen-containing 5-membered ring compound represented by the formula [I]:** Image-1wherein symbols in the formula have the following meanings;A: CH2 or S , antidiabetic agents MITSUBISHI TANABE PHARMA CORP. (JP) 2010-02-23 US disclosed
EP-1323710-B1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-10 EP disclosed
US-20080153821-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2008-06-26 US disclosed
US-7332487-B2 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2008-02-19 US 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-20110077228-A1 NOVEL C-21-KETO LUPANE DERIVATIVES PREPARATION AND USE THEREOF CYP51A1, CYP17A1, HSD17B7 HTT 4613/4885LMNA 586/4885P2RX7 3887/4885
US-20080153821-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 HTT 1701/4885LMNA 3030/4885P2RX7 2293/4885

“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.