SCHEMBL482073

SCHEMBL482073

Nc1cnc(Br)nc1Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 3/20 0.50
▸ BCL6 P41182 4/20 0.49
▸ AURKA O14965 2/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ INSR P06213 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ FES P07332 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ LYN P07948 1/20 0.42
▸ ROS1 P08922 1/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ SRC P12931 1/20 0.42

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
SCHEMBL24654519 0.79 PIN1 (0.57) IGF1RBCL6AURKAGSK3BPLK4
SCHEMBL30069228 0.76 BCL6 (0.45) IGF1RBCL6AURKAGSK3BPLK4
SCHEMBL30069224 0.76 BCL6 (0.49) IGF1RBCL6AURKAGSK3BPLK4
SCHEMBL2877364 0.75 MAPT (0.45) IGF1RBCL6MAP4K4MAPK8RPS6KA3
SCHEMBL11578760 0.74 MAPT (0.52) BCL6PLK3MAPTALDH1A1CYP1A2
SCHEMBL10138755 0.72 IGF1R (0.46) IGF1RBCL6MAPTALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL11580554 0.72 MAPT (0.50) BCL6PLK3MAPTALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL11579145 0.72 MAPT (0.50) BCL6PLK3MAPTALDH1A1CYP1A2
SCHEMBL12806234 0.71 CYP1A2 (0.55) BCL6MAP4K4MAPK8RPS6KA3LIMK1
SCHEMBL21190870 0.70 IGF1R (0.51) IGF1RBCL6AURKAGSK3BPLK4

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 9 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
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 (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-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 IGF1R 1257/4885BCL6 132/4885AURKA 913/4885

“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.

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