SCHEMBL2450823

SCHEMBL2450823

COc1ccc(Cl)cc1COc1ncnc(N)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
CYP1A2 P05177 2/20 0.46
ADRB2 P07550 1/20 0.43
EGFR P00533 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 7/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
KDR P35968 2/20 0.37
ANO1 Q5XXA6 1/20 0.37
RET P07949 1/20 0.36

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 0.86 EGFR (0.40) LMNACYP1A2EGFRSGMS2POLB
SCHEMBL12303608 0.85 RET (0.51) EGFRKDRRETERBB2
SCHEMBL2452750 0.85 RET (0.51) EGFRKDRRETERBB2
SCHEMBL2452752 0.85 RET (0.51) EGFRKDRRETERBB2
SCHEMBL2454253 0.84 IDO1 (0.44) CYP1A2EGFRKDM4EALDH1A1POLB
SCHEMBL2450960 0.81 TUBB1 (0.43) LMNAEGFRKDM4EALDH1A1CA1
SCHEMBL2453751 0.78 EGFR (0.46) EGFRERBB2
SCHEMBL2453807 0.77 CDC7 (0.52) EGFRKDM4EHPGDERBB2
SCHEMBL2450555 0.75 EGFR (0.39) LMNAEGFRPOLBMAPTKDR
SCHEMBL2453261 0.75 ALOX15 (0.40) LMNACYP1A2EGFRALDH1A1POLB

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 LMNA 3668/4885CYP1A2 2026/4885ADRB2 4109/4885

“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.