SCHEMBL10061518

SCHEMBL10061518

CN1CCN(c2ccc(N)c(CN)c2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
PTK2B Q14289 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
ADRA2C P18825 3/20 0.47
POLB P06746 1/20 0.46
NCF1 P14598 2/20 0.43
RAD52 P43351 1/20 0.43
HSD17B10 Q99714 1/20 0.42
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR2 Q92731 1/20 0.39
HTR6 P50406 2/20 0.37
HRH4 Q9H3N8 4/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL28425579 0.88 ALDH1A1 (0.54) ALDH1A1L3MBTL1KDM4EMAPTGAA
SCHEMBL24625640 0.84 ALDH1A1 (0.50) ALDH1A1L3MBTL1KDM4EMAPTGAA
SCHEMBL16514423 0.82 ALDH1A1 (0.62) ALDH1A1L3MBTL1KDM4EMAPTGAA
SCHEMBL2894409 0.80 ALDH1A1 (0.60) ALDH1A1L3MBTL1KDM4EMAPTGAA
SCHEMBL22471212 0.79 ALDH1A1 (0.58) ALDH1A1L3MBTL1KDM4EMAPTGAA
SCHEMBL30464713 0.79 ALDH1A1 (0.58) ALDH1A1L3MBTL1KDM4EMAPTGAA
SCHEMBL24620621 0.78 ALDH1A1 (0.57) ALDH1A1L3MBTL1KDM4EMAPTGAA
SCHEMBL22471227 0.76 ALDH1A1 (0.58) ALDH1A1L3MBTL1KDM4EMAPTGAA
SCHEMBL22164011 0.75 ALDH1A1 (0.54) ALDH1A1L3MBTL1KDM4EMAPTGAA
SCHEMBL12714783 0.75 ALDH1A1 (0.54) ALDH1A1L3MBTL1KDM4EMAPTGAA

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-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
WO-2008152014-A2 3-HETROCYCLYLIDENE-INDOLINONE DERIVATIVES AS INHIBITORS OF SPECIFIC CELL CYCLE KINASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 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 (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-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 ALDH1A1 450/4885L3MBTL1 821/4885KDM4E 2464/4885

“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.