SCHEMBL5233605

SCHEMBL5233605

CN1CCN(c2ccc(N)c(CN)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.63
KDM4E B2RXH2 4/20 0.63
MAPT P10636 3/20 0.63
PTK2B Q14289 2/20 0.63
MAPK1 P28482 1/20 0.63
HTT P42858 1/20 0.63
RECQL P46063 1/20 0.63
ADRA2C P18825 3/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
GFER P55789 1/20 0.53
ESR2 Q92731 1/20 0.53
SIRT6 Q8N6T7 2/20 0.50
HTR3A P46098 1/20 0.47
RAD52 P43351 1/20 0.46
NCF1 P14598 1/20 0.45
MEN1 O00255 1/20 0.45
GLA P06280 1/20 0.45
AGXT P21549 1/20 0.44
NPC1 O15118 1/20 0.44

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 0.87 KDM4E (0.63) GAAKDM4EMAPTPTK2BMAPK1
Ammonia Solution, Strong SCHEMBL3620436 0.85 KDM4E (0.61) GAAKDM4EMAPTPTK2BMAPK1
SCHEMBL10061499 0.85 KDM4E (0.61) GAAKDM4EMAPTPTK2BMAPK1
Ammonia Solution, Strong SCHEMBL3620933 0.85 KDM4E (0.61) GAAKDM4EMAPTPTK2BMAPK1
SCHEMBL27577149 0.84 MAPT (0.58) GAAKDM4EMAPTPTK2BMAPK1
SCHEMBL30760572 0.83 KDM4E (0.50) GAAKDM4EMAPTPTK2BMAPK1
SCHEMBL22652120 0.83 GAA (0.58) GAAKDM4EMAPTPTK2BMAPK1
SCHEMBL10061479 0.83 GAA (0.58) GAAKDM4EMAPTPTK2BMAPK1
SCHEMBL22652122 0.81 MAPT (0.56) GAAKDM4EMAPTPTK2BMAPK1
SCHEMBL29745032 0.80 GAA (0.73) GAAKDM4EMAPTPTK2BMAPK1

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 10 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
EP-1507776-B1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC (US) 2007-02-28 EP disclosed
US-7119111-B2 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN, INC. (US) 2006-10-10 US disclosed
EP-1507776-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS Amgen Inc. (US) 2005-02-23 EP disclosed
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN INC. 2003-12-11 US disclosed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 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-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use CASP3, BAX, BAD GAA 434/4885KDM4E 1697/4885MAPT 4168/4885
US-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 GAA 539/4885KDM4E 2464/4885MAPT 4348/4885

“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.