Sugi Predict

Sugi Predict / Compounds / SCHEMBL3065645

SCHEMBL3065645

SCHEMBL3065645

COc1cc2nc[nH]c(=O)c2cc1OCCNCC(C)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.43
▸ KDM4E B2RXH2 6/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ ADRB2 P07550 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GRK3 P35626 2/20 0.37
▸ EHMT2 Q96KQ7 1/20 0.37
▸ KDR P35968 1/20 0.36

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
SCHEMBL3065643 1.00 SRC (0.43) SRCKDM4EALDH1A1ADRB2TDP1
SCHEMBL7215875 0.85 SRC (0.47) SRCKDM4EGAAMAPK1KDR
SCHEMBL4297393 0.79 SRC (0.50) SRCKDM4EALDH1A1GAAEHMT2
SCHEMBL14690985 0.79 SRC (0.50) SRCKDM4EALDH1A1GAAEHMT2
SCHEMBL1780281 0.79 SRC (0.52) SRCKDR
SCHEMBL1012303 0.79 SRC (0.52) SRCKDR
SCHEMBL8917 0.78 SRC (0.63) SRCKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL4376398 0.78 SRC (0.51) SRCKDM4EALDH1A1GAAKDR
SCHEMBL664912 0.78 SRC (0.51) SRCKDM4EALDH1A1GAAKDR
SCHEMBL13299042 0.78 SRC (0.51) SRCKDM4EGAAKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267718-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them HIMMELSBACH FRANK 2010-10-21 — — US disclosed
US-7196091-B2 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-27 — — US disclosed
US-20060264450-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them HIMMELSBACH FRANK 2006-11-23 — — US disclosed
US-20050014772-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 — — 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 (3 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-20050014772-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them RET, CYP11B1, CYP11B2 SRC 9/4885KDM4E 3496/4885ALDH1A1 1923/4885
US-20060264450-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them RET, CYP11B1, CYP11B2 SRC 9/4885KDM4E 3496/4885ALDH1A1 1923/4885
US-20100267718-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them RET, CYP11B1, CYP11B2 SRC 9/4885KDM4E 3496/4885ALDH1A1 1923/4885

“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.