SCHEMBL3667748

SCHEMBL3667748

O=C(NCCCN1CCOCC1)c1cc(-c2ccc3[nH]ncc3c2)on1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
LMNA P02545 4/20 0.67
HTT P42858 2/20 0.67
MAPK1 P28482 2/20 0.67
TSHR P16473 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
GLA P06280 1/20 0.67
HIF1A Q16665 1/20 0.67
GAA P10253 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
RAB9A P51151 2/20 0.58
ROCK2 O75116 3/20 0.58
PIM1 P11309 1/20 0.58
GSK3B P49841 1/20 0.58
KMT2A Q03164 1/20 0.58
NPC1 O15118 1/20 0.57
CLK4 Q9HAZ1 2/20 0.55
STK17A Q9UEE5 2/20 0.55
DYRK1A Q13627 1/20 0.55
SMYD2 Q9NRG4 1/20 0.49

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
SCHEMBL3667340 0.84 ROCK2 (0.70) LMNAHTTMAPK1TSHRSMN1; SMN2
SCHEMBL3668370 0.83 ROCK2 (0.56) ALDH1A1LMNAHTTMAPK1TSHR
SCHEMBL3637194 0.81 LMNA (0.68) ALDH1A1LMNAHTTMAPK1SMN1; SMN2
SCHEMBL16373737 0.80 HTT (1.00) ALDH1A1LMNAHTTMAPK1TSHR
SCHEMBL3636001 0.79 ROCK2 (0.71) ALDH1A1LMNASMN1; SMN2RAB9AROCK2
SCHEMBL4287675 0.78 ROCK2 (0.82) ALDH1A1MAPK1SMN1; SMN2RAB9AROCK2
SCHEMBL3638927 0.78 ROCK2 (0.54) LMNAHTTMAPK1HIF1AROCK2
SCHEMBL24305491 0.77 TSHR (0.92) ALDH1A1LMNAHTTMAPK1TSHR
SCHEMBL3670768 0.77 FAAH (0.67) ALDH1A1LMNAMAPK1SMN1; SMN2GAA
SCHEMBL5419575 0.76 CYP1A2 (0.65) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167491-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS Abbott Laboratories (US) 2010-03-31 EP claimed
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-08-13 US claimed
WO-2008154241-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2008-12-18 WO claimed
US-9163007-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2015-10-20 US disclosed
US-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-11-20 US disclosed
US-8648069-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2014-02-11 US disclosed
EP-2167491-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS Abbott Laboratories (US) 2010-03-31 EP disclosed
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-08-13 US disclosed
WO-2008154241-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2008-12-18 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-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 ALDH1A1 2761/4885LMNA 3167/4885HTT 4551/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 ALDH1A1 2761/4885LMNA 3167/4885HTT 4551/4885

“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.