SCHEMBL2992909

SCHEMBL2992909

O=C1N=C(Nc2cc(C(=O)NCCN3CCOCC3)ccc2Cl)S/C1=C\c1ccc2ncccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK8 P45983 3/20 0.44
MAPK10 P53779 3/20 0.44
MAPK13 O15264 2/20 0.44
MAPK12 P53778 2/20 0.44
MAPK11 Q15759 2/20 0.44
MAPK14 Q16539 2/20 0.44
CSNK2A2 P19784 1/20 0.43
CLK2 P49760 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
CSNK2A3 Q8NEV1 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43

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
SCHEMBL2992912 1.00 KMT2A (0.44) KMT2AAURKAAURKBCYP1A2CYP2D6
SCHEMBL2985922 0.96 HTR1A (0.47) KMT2AMAPK8MAPK10MAPK13MAPK12
SCHEMBL2985924 0.96 HTR1A (0.47) KMT2AMAPK8MAPK10MAPK13MAPK12
SCHEMBL3637858 0.94 PLD2 (0.43) KMT2ACSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL3637855 0.94 PLD2 (0.43) KMT2ACSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL3644636 0.93 KMT2A (0.44) KMT2ACSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL2993819 0.93 KMT2A (0.44) KMT2ACSNK2A2CSNK2BCSNK2A1CSNK2A3
Trifluoroacetic Acid SCHEMBL4083712 0.89 KMT2A (0.41) KMT2ACSNK2A2CSNK2BCSNK2A1CSNK2A3
Trifluoroacetic Acid SCHEMBL4083720 0.89 KMT2A (0.41) KMT2ACSNK2A2CSNK2BCSNK2A1CSNK2A3
Trifluoroacetic Acid SCHEMBL4093537 0.89 KMT2A (0.42) KMT2ACSNK2A2CSNK2BCSNK2A1CSNK2A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
EP-2164494-A1 METHODS OF TREATMENT GlaxoSmithKline LLC (US) 2010-03-24 EP disclosed
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 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-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 KMT2A 2272/4885AURKA 3491/4885AURKB 2226/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 KMT2A 3294/4885AURKA 2222/4885AURKB 1633/4885

“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.