SCHEMBL2518690

SCHEMBL2518690

Cc1cc(C(=O)Nc2c[c]c(Cl)cc2)n(C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FLT1 P17948 1/20 0.45
KDR P35968 1/20 0.45
BACE1 P56817 1/20 0.44
F10 P00742 5/20 0.43
TSHR P16473 1/20 0.43
BRAF P15056 1/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
TAS2R8 Q9NYW2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 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
SCHEMBL2517273 0.87 KMT2A (0.48) KMT2AMEN1RXFP1MAPTNPSR1
SCHEMBL2515369 0.82 GAA (0.46) KMT2AMEN1RXFP1MAPTKDR
SCHEMBL17664559 0.79 POLB (0.60) KMT2AMEN1RXFP1MAPTNPSR1
SCHEMBL2517050 0.78 KMT2A (0.48) KMT2AMEN1RXFP1MAPTFLT1
SCHEMBL17660199 0.77 GAA (0.54) KMT2AMEN1RXFP1MAPTNPSR1
SCHEMBL20852342 0.77 MEN1 (0.55) KMT2AMEN1RXFP1MAPTNPSR1
SCHEMBL7862694 0.76 TSHR (0.59) KMT2AMEN1RXFP1MAPTTSHR
SCHEMBL2518163 0.73 KMT2A (0.46) KMT2AMEN1RXFP1MAPTNPSR1
SCHEMBL17664634 0.73 SMN1; SMN2 (0.59) KMT2AMEN1RXFP1MAPTFLT1
SCHEMBL2517076 0.72 KMT2A (0.56) KMT2AMEN1MAPTFLT1KDR

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 2551/4885RXFP1 1223/4885
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 KMT2A 1144/4885MEN1 2551/4885RXFP1 1223/4885
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 KMT2A 1144/4885MEN1 2551/4885RXFP1 1223/4885
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 KMT2A 1189/4885MEN1 2426/4885RXFP1 1196/4885

“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.