SCHEMBL1880465

SCHEMBL1880465

[CH2]Oc1cc(C)nc(N)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.55
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.41
RECQL P46063 1/20 0.41
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
TSHR P16473 1/20 0.39
CYP2D6 P10635 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.37
GRM4 Q14833 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL754480 0.80 NUDT1 (0.61) NUDT1POLBSMN1; SMN2RAB9ANPC1
SCHEMBL7052094 0.77 KMT2A (0.42) NUDT1POLBCYP1A2CYP2C19CYP2C9
SCHEMBL151114 0.75
SCHEMBL15498159 0.75 NUDT1 (0.61) NUDT1POLBSMN1; SMN2RAB9ANPC1
SCHEMBL18134205 0.75 NUDT1 (0.66) NUDT1POLBSMN1; SMN2RAB9ANPC1
SCHEMBL8795406 0.75 NUDT1 (0.51) NUDT1POLBSMN1; SMN2RAB9ANPC1
SCHEMBL8629598 0.74 CYP1A2 (0.50) NUDT1POLBSMN1; SMN2RAB9ANPC1
SCHEMBL14879957 0.74 NUDT1 (0.54) NUDT1POLBSMN1; SMN2RAB9ANPC1
SCHEMBL12074772 0.74 NUDT1 (0.64) NUDT1POLBSMN1; SMN2RAB9ANPC1
SCHEMBL11170200 0.74 NUDT1 (0.58) NUDT1POLBSMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346878-B1 FUSED PYRIDINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-01 EP disclosed
US-8653272-B2 Fused pyridine derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2014-02-18 US disclosed
US-8399483-B2 Quinoxaline and quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2013-03-19 US disclosed
US-20110201630-A1 Fused Pyridine Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2011-08-18 US disclosed
EP-2346878-A1 FUSED PYRIDINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2011-07-27 EP disclosed
US-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA, S.A. (BE) 2011-05-05 US disclosed
EP-2231641-A2 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2010-09-29 EP disclosed
WO-2010061180-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-06-03 WO disclosed
WO-2010046639-A1 FUSED PYRIDINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-04-29 WO disclosed
WO-2009081105-A2 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-07-02 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-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS PDXK, PDPK1, PIKFYVE NUDT1 1761/4885POLB 1450/4885SMN1; SMN2 3405/4885
US-20110201630-A1 Fused Pyridine Derivatives as Kinase Inhibitors MAP2K2, MAP4K2, MAP3K6 NUDT1 2633/4885POLB 1595/4885SMN1; SMN2 2510/4885

“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.