SCHEMBL2454253

SCHEMBL2454253

Nc1ncnc(OCc2ccc(Cl)cc2Cl)c1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
INPPL1 O15357 3/20 0.42
NR4A2 P43354 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
EGFR P00533 1/20 0.40
RET P07949 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL2457873 0.90 EGFR (0.40) INPPL1POLBKMT2AHPGDEGFR
SCHEMBL2453261 0.88 ALOX15 (0.40) L3MBTL1ALDH1A1POLBMAPTKMT2A
SCHEMBL2450823 0.84 LMNA (0.47) L3MBTL1ALDH1A1POLBMAPTKMT2A
SCHEMBL2455951 0.82 RET (0.57) EGFRRET
SCHEMBL12303593 0.82 RET (0.57) EGFRRET
SCHEMBL2455955 0.82 RET (0.57) EGFRRET
SCHEMBL2453751 0.81 EGFR (0.46) IDO1NR4A2EGFR
SCHEMBL2450555 0.80 EGFR (0.39) POLBMAPTEGFRRETTDP1
SCHEMBL2453807 0.80 CDC7 (0.52) IDO1NR4A2HPGDKDM4EEGFR
SCHEMBL2450814 0.78 NPC1 (0.48) IDO1ALDH1A1MAPTKMT2AEGFR

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 IDO1 2629/4885INPPL1 862/4885NR4A2 2842/4885

“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.