SCHEMBL2995679

SCHEMBL2995679

O=C1N=C(Nc2c(Cl)cccc2Cl)S/C1=C\c1ccc2nccc(N3CCCC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR6 P50406 3/20 0.38
ENPP2 Q13822 1/20 0.38
CLK1 P49759 2/20 0.38
CLK2 P49760 2/20 0.38
DYRK1A Q13627 2/20 0.38
DYRK3 O43781 2/20 0.38
CSNK1E P49674 1/20 0.38
CLK3 P49761 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK2 Q92630 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK4 Q9NR20 1/20 0.38

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
SCHEMBL4585273 1.00 KMT2A (0.41) KMT2AALDH1A1HTTMAPTPKM
SCHEMBL2995682 1.00 KMT2A (0.41) KMT2AALDH1A1HTTMAPTPKM
SCHEMBL4586474 0.99 KMT2A (0.41) KMT2AALDH1A1HTTMAPTPKM
SCHEMBL4586479 0.99 KMT2A (0.41) KMT2AALDH1A1HTTMAPTPKM
SCHEMBL2993532 0.92 HTR6 (0.47) HTR6CLK1CLK2DYRK1ADYRK3
SCHEMBL2996088 0.92 ENPP2 (0.48) HTR6ENPP2CLK1CLK2DYRK1A
SCHEMBL2996092 0.92 ENPP2 (0.48) HTR6ENPP2CLK1CLK2DYRK1A
SCHEMBL2993546 0.92 MEN1 (0.40) KMT2AALDH1A1HTTMAPTHTR6
SCHEMBL4587489 0.92 HTR6 (0.47) HTR6CLK1CLK2DYRK1ADYRK3
SCHEMBL2993549 0.92 MEN1 (0.40) KMT2AALDH1A1HTTMAPTHTR6

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-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
EP-2164494-A1 METHODS OF TREATMENT GlaxoSmithKline LLC (US) 2010-03-24 EP disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 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 (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 KMT2A 3294/4885ALDH1A1 4089/4885HTT 70/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 KMT2A 2272/4885ALDH1A1 2461/4885HTT 81/4885

“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.