SCHEMBL2454013

SCHEMBL2454013

COc1cccc(COc2ncnc(N)c2C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.48
MPO P05164 1/20 0.47
PIN1 Q13526 1/20 0.47
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
CSF1R P07333 1/20 0.47
PDGFRB P09619 1/20 0.47
FLT4 P35916 1/20 0.47
FLT3 P36888 1/20 0.47
DHFR P00374 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
ABCB1 P08183 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
EGFR P00533 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL5481386 0.85 RET (0.55) MAOBMPOPIN1IDO1AGXT
SCHEMBL5481380 0.85 RET (0.55) MAOBMPOPIN1IDO1AGXT
SCHEMBL2451281 0.82 MAOB (0.50) MAOBIDO1AGXTEGFRSMN1; SMN2
SCHEMBL2453807 0.82 CDC7 (0.52) MAOBMPOPIN1IDO1AGXT
SCHEMBL2450854 0.82 MAP3K7 (0.51) MAOBMPOIDO1AGXTEGFR
SCHEMBL5319746 0.82 EGFR (0.53) MAOBNPC1RAB9AEGFRMAPT
SCHEMBL2450960 0.81 TUBB1 (0.43) CSF1RDHFRABCB1EGFRMAPT
SCHEMBL2451246 0.80 RAB9A (0.52) NPC1RAB9AEGFRMAPTSMN1; SMN2
SCHEMBL2452871 0.80 MAOB (0.51) MAOBIDO1MAPTHTT
SCHEMBL2454298 0.76 MAOA (0.39) MAOBEGFR

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
WO-2007109783-A2 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 WO claimed
US-8013153-B2 Substituted pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2011-09-06 US disclosed
US-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 US disclosed
WO-2007109783-A2 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 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-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS DTYMK, TK1, DCK MAOB 2116/4885MPO 3726/4885PIN1 1301/4885

“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.