SCHEMBL2990912

SCHEMBL2990912

CN1CCN(c2ccnc3ccc(C=C4SC(Nc5cc(NC(=O)C6CCC6)ccc5Cl)=NC4=O)cc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.43
ENPP2 Q13822 1/20 0.41
EGFR P00533 6/20 0.40
WDR5 P61964 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPKAPK2 P49137 1/20 0.38
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
IDE P14735 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CSF1R P07333 1/20 0.35

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
SCHEMBL2990909 1.00 MAPK14 (0.43) MAPK14ENPP2EGFRWDR5KMT2A
SCHEMBL2994778 0.93 HTR6 (0.40) EGFRHTR1AHTR1DHTR1BHTR2A
SCHEMBL2994777 0.93 HTR6 (0.40) EGFRHTR1AHTR1DHTR1BHTR2A
SCHEMBL2993695 0.92 ALDH1A1 (0.46) EGFRKMT2AMAPKAPK2MAPTALDH1A1
SCHEMBL2993692 0.92 ALDH1A1 (0.46) EGFRKMT2AMAPKAPK2MAPTALDH1A1
Trifluoroacetic Acid SCHEMBL2990510 0.84 ENPP2 (0.40) ENPP2EGFRWDR5KMT2AMAPKAPK2
Trifluoroacetic Acid SCHEMBL2990505 0.84 ENPP2 (0.40) ENPP2EGFRWDR5KMT2AMAPKAPK2
SCHEMBL2988902 0.84 EGFR (0.40) EGFRKMT2A
SCHEMBL2988900 0.84 EGFR (0.40) EGFRKMT2A
SCHEMBL2993517 0.82 EGFR (0.40) EGFRKMT2AMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 MAPK14 846/4885ENPP2 954/4885EGFR 4159/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 MAPK14 4221/4885ENPP2 508/4885EGFR 2273/4885

“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.