SCHEMBL10061479

SCHEMBL10061479

CNCc1cc(N2CCN(C)CC2)ccc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.58
MAPT P10636 4/20 0.58
KDM4E B2RXH2 4/20 0.58
PTK2B Q14289 2/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
RECQL P46063 1/20 0.58
NCF1 P14598 1/20 0.52
ADRA2C P18825 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GFER P55789 1/20 0.49
ESR2 Q92731 1/20 0.49
SIRT6 Q8N6T7 1/20 0.47
RAD52 P43351 1/20 0.47
HTR3A P46098 1/20 0.44
HTR6 P50406 3/20 0.42
HTR2A P28223 1/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL22634719 0.83 KDM4E (0.63) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL5233605 0.83 GAA (0.63) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL10061499 0.81 KDM4E (0.61) GAAMAPTKDM4EPTK2BMAPK1
Ammonia Solution, Strong SCHEMBL3620933 0.81 KDM4E (0.61) GAAMAPTKDM4EPTK2BMAPK1
Ammonia Solution, Strong SCHEMBL3620436 0.81 KDM4E (0.61) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL22652120 0.79 GAA (0.58) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL22652122 0.78 MAPT (0.56) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL6150891 0.77 GAA (0.69) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL6151809 0.77 GAA (0.69) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL519972 0.77 GAA (0.69) GAAMAPTKDM4EPTK2BMAPK1

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 GAA 539/4885MAPT 4348/4885KDM4E 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.