SCHEMBL3953434

SCHEMBL3953434

CC(C)(CNc1nc(Br)cnc1N)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ GAA P10253 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ NUDT1 P36639 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TTK P33981 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MTOR P42345 1/20 0.33
▸ MAP3K12 Q12852 1/20 0.33

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
SCHEMBL3951404 0.75 TOP2A (0.45) LMNAALDH1A1GAAMEN1KMT2A
SCHEMBL3950754 0.71 MAPK1 (0.38) CTSKL3MBTL1ALDH1A1KMT2A
SCHEMBL3961727 0.70 JAK3 (0.40) PDE10A
SCHEMBL482329 0.69 KMT2A (0.38) LMNAHTTSMN1; SMN2ALDH1A1GAA
SCHEMBL1192967 0.69 CCNT1 (0.49) ALDH1A1PDE10A
SCHEMBL28104016 0.68 PDE10A (0.40) HTTL3MBTL1PDE10ANUDT1KMT2A
SCHEMBL28870897 0.68 ALDH1A1 (0.53) LMNAHTTSMN1; SMN2ALDH1A1GAA
SCHEMBL28610329 0.67 IGF1R (0.57) HTTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL29390857 0.67 IGF1R (0.57) HTTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL12146478 0.66 ATR (0.35) HTTNUDT1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 — — EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 — — EP disclosed
US-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 — — US disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 — — EP disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 — — EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 — — EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 — — US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 — — 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 (1 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-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 LMNA 1237/4885HTT 2270/4885SMN1; SMN2 4042/4885

“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.

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