SCHEMBL2451246

SCHEMBL2451246

Nc1ncnc(OCc2ccc3ccccc3c2)c1C=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
CNR2 P34972 7/20 0.45
CNR1 P21554 5/20 0.45
EGFR P00533 1/20 0.43
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
ROCK1 Q13464 1/20 0.40
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39
BCHE P06276 2/20 0.39
NAE1 Q13564 1/20 0.38
UBA3 Q8TBC4 1/20 0.38
KDR P35968 1/20 0.37
ALOX5 P09917 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
SCHEMBL5319746 0.84 EGFR (0.53) RAB9AEGFRNPC1MAPTSMN1; SMN2
SCHEMBL2453535 0.82 KDR (0.58) EGFRKDR
SCHEMBL12303607 0.82 KDR (0.58) EGFRKDR
SCHEMBL2453533 0.82 KDR (0.58) EGFRKDR
SCHEMBL2454298 0.81 MAOA (0.39) CNR2CNR1EGFR
SCHEMBL2450814 0.81 NPC1 (0.48) RAB9AEGFRNPC1MAPT
SCHEMBL2454013 0.80 MAOB (0.48) RAB9AEGFRNPC1MAPTSMN1; SMN2
SCHEMBL2453807 0.80 CDC7 (0.52) EGFR
SCHEMBL2451281 0.80 MAOB (0.50) EGFRSMN1; SMN2
SCHEMBL2450854 0.80 MAP3K7 (0.51) EGFR

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 RAB9A 2802/4885CNR2 2088/4885CNR1 1946/4885

“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.