SCHEMBL2517050

SCHEMBL2517050

Cc1cc(C(=O)Nc2c[c]ccc2)n(C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
BRAF P15056 3/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HIF1A Q16665 1/20 0.45
NAMPT P43490 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.43
TAS2R8 Q9NYW2 1/20 0.43
BACE1 P56817 1/20 0.42
KDR P35968 6/20 0.42
PDGFRB P09619 5/20 0.42
KIT P10721 5/20 0.42
FLT1 P17948 5/20 0.42
AURKA O14965 4/20 0.42
RAF1 P04049 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
SCHEMBL7862694 0.83 TSHR (0.59) KMT2AMEN1BRAFALDH1A1LMNA
SCHEMBL2520214 0.83 ALDH1A1 (0.55) KMT2AMEN1BRAFALDH1A1LMNA
SCHEMBL2516128 0.80 GAA (0.44) KMT2AMEN1BRAFRXFP1GAA
SCHEMBL2515326 0.80 NAMPT (0.42) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL2517273 0.80 KMT2A (0.48) KMT2AMEN1BRAFALDH1A1LMNA
SCHEMBL17664634 0.80 SMN1; SMN2 (0.59) KMT2AMEN1BRAFALDH1A1LMNA
SCHEMBL2520698 0.79 RAB9A (0.54) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL2514318 0.78 SMN1; SMN2 (0.63) KMT2AMEN1ALDH1A1MAPTNAMPT
SCHEMBL2517076 0.78 KMT2A (0.56) KMT2AMEN1BRAFALDH1A1LMNA
SCHEMBL2518690 0.78 KMT2A (0.49) KMT2AMEN1BRAFALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273741-B2 Imidazo-pyridazinyl compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8044049-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-25 US disclosed
US-8034812-B2 Imidazopyridazine derivative having kinase inhibitory activity and pharmaceutical agent thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-11 US disclosed
US-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 US disclosed
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-01 US disclosed
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 US disclosed
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US 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 (4 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-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 KMT2A 1144/4885MEN1 2551/4885BRAF 4/4885
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 KMT2A 1144/4885MEN1 2551/4885BRAF 4/4885
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 KMT2A 1144/4885MEN1 2551/4885BRAF 4/4885
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 KMT2A 1189/4885MEN1 2426/4885BRAF 4/4885

“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.