SCHEMBL481889

SCHEMBL481889

Nc1ncc(-c2cccc3ncccc23)nc1NC(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.53
LDHB P07195 12/20 0.47
LDHA P00338 12/20 0.47
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
FTO Q9C0B1 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
BPTF Q12830 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
SCHEMBL481782 0.86 ATR (0.48) ATRLDHBLDHAFTOKDM5B
SCHEMBL481784 0.86 ATR (0.48) ATRLDHBLDHAFTOKDM5B
SCHEMBL3956534 0.86 ATR (0.48) ATRLDHBLDHA
SCHEMBL482010 0.86 ATR (0.48) ATRLDHBLDHAFTOKDM5B
SCHEMBL3955506 0.86 ATR (0.48) ATRLDHBLDHA
SCHEMBL481930 0.77 ATR (0.59) ATRKDM4EFTOKDM5BKDM2A
SCHEMBL3955753 0.76 GALR3 (0.52) LDHBLDHAKDM4EALDH1A1
SCHEMBL3955508 0.76 ATR (0.49) ATRLDHBLDHA
SCHEMBL481965 0.74 ATR (0.56) ATRKDM4EFTOKDM5BKDM2A
SCHEMBL481496 0.72 ATR (0.49) ATRKDM4EAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
US-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 US disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 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 (2 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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA ATR 562/4885LDHB 425/4885LDHA 393/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 ATR 316/4885LDHB 349/4885LDHA 354/4885

“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.