SCHEMBL2451345

SCHEMBL2451345

COc1ccccc1Oc1ncnc(N)c1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.42
RET P07949 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NFE2L2 Q16236 1/20 0.40
MAP4K4 O95819 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DHPS P49366 3/20 0.39
TP53 P04637 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL12303659 0.82 RET (0.63) KDRRET
SCHEMBL2453270 0.82 KDM1A (0.47) KDRSMN1; SMN2MAPTKDM4ENPC1
SCHEMBL2451323 0.82 RET (0.63) KDRRET
SCHEMBL2451325 0.82 RET (0.63) KDRRET
SCHEMBL2450638 0.81 RET (0.54) KDRMAPTRETRAB9AMAP4K4
SCHEMBL2456810 0.80 MAPT (0.41) KDRMAPTRETHTT
SCHEMBL2456634 0.79 MAPT (0.51) SMN1; SMN2MAPTKDM4EALDH1A1HTT
SCHEMBL2456628 0.79 MAPT (0.51) SMN1; SMN2MAPTKDM4EALDH1A1HTT
SCHEMBL2457958 0.79 LCK (0.56) KDRRET
SCHEMBL2452692 0.78 RET (0.45) KDRRETALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDR 1975/4885SMN1; SMN2 2628/4885MAPT 2869/4885

“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.