SCHEMBL1154855

SCHEMBL1154855

Oc1nccc2nc[nH]c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.35
KDM4A O75164 1/20 0.32
KDM4B O94953 1/20 0.32
KDM5C P41229 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
KDM3A Q9Y4C1 1/20 0.32
ALDH1A1 P00352 2/20 0.32
QPCT Q16769 1/20 0.32
QPCTL Q9NXS2 1/20 0.32
CYP3A4 P08684 2/20 0.32
NAMPT P43490 1/20 0.32
XDH P47989 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
PDPK1 O15530 1/20 0.31
CA12 O43570 1/20 0.31
ALOX15 P16050 1/20 0.31
CA9 Q16790 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PRKCI P41743 1/20 0.31

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
SCHEMBL13217492 0.74 DYRK1A (0.48) PARP1KDM4AKDM4BKDM5CKDM4C
SCHEMBL402483 0.74 PI4KA (0.45) PARP1ALDH1A1XDHPDPK1PRKCI
SCHEMBL14438026 0.74 MAOA (0.39) PARP1KDM4AKDM4BKDM5CKDM4C
SCHEMBL30568593 0.74 DYRK1A (0.48) PARP1KDM4AKDM4BKDM5CKDM4C
SCHEMBL31394920 0.74 KDM4E (0.43) KDM4AKDM5CKDM4CKDM5BKDM3A
SCHEMBL1374558 0.73 PRKCI (0.44) PARP1ALDH1A1CYP3A4NAMPTXDH
SCHEMBL21544519 0.72 PDE3B (0.42) PARP1KDM4AKDM4BKDM5CKDM4C
SCHEMBL10756075 0.72 PARP1 (0.35) PARP1QPCTQPCTLPRKCIKDM4E
SCHEMBL29696588 0.72 BRAF (0.40) PARP1CYP3A4
SCHEMBL18237587 0.71 LRRK2 (0.33) PARP1KDM4AKDM4BKDM5CKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046144-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS OSI PHARMACEUTICALS, INC. 2011-02-24 US disclosed
US-20110046144-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS OSI PHARMACEUTICALS, INC. 2011-02-24 US disclosed
US-20110046144-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS OSI PHARMACEUTICALS, INC. 2011-02-24 US disclosed
EP-2250173-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS OSI Pharmaceuticals, Inc. (US) 2010-11-17 EP disclosed
WO-2009091939-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS OSI PHARMACEUTICALS, INC. (US) 2009-07-23 WO disclosed
WO-2009091939-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS OSI PHARMACEUTICALS, INC. (US) 2009-07-23 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-20110046144-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS IGF1R, IGFBP3, INSR PARP1 1821/4885KDM4A 2247/4885KDM4B 2550/4885

“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.