SCHEMBL10061528

SCHEMBL10061528

CN1CCC(N(C)c2cccc(N)c2CN)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
NSD2 O96028 1/20 0.37
HTR2A P28223 9/20 0.37
HTR2C P28335 9/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CXCR4 P61073 1/20 0.36
EED O75530 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.34

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
SCHEMBL1197953 0.80 HTR2A (0.42) KDM4ENSD2HTR2AHTR2CALDH1A1
SCHEMBL15227772 0.71 HTR2A (0.54) KDM4EHTR2AHTR2CALDH1A1POLB
SCHEMBL12020800 0.70 HTR2A (0.45) KDM4EHTR2AHTR2CALDH1A1POLB
SCHEMBL13708519 0.70 HTR2A (0.45) KDM4EHTR2AHTR2CALDH1A1POLB
SCHEMBL10061527 0.69 KMT2A (0.50) HTR2AHTR2CALDH1A1POLBSMN1; SMN2
SCHEMBL12020674 0.69 HTR2A (0.42) KDM4EHTR2AHTR2CALDH1A1POLB
SCHEMBL12878072 0.69 HTR2A (0.47) KDM4EHTR2AHTR2CALDH1A1POLB
SCHEMBL1196849 0.69 HTR2A (0.37) KDM4ENSD2HTR2AHTR2CALDH1A1
SCHEMBL1197340 0.68 ADRA2C (0.46) HTR2AHTR2CALDH1A1POLBTSHR
SCHEMBL24050230 0.67 HTR2A (0.42) KDM4EHTR2AHTR2CALDH1A1POLB

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 KDM4E 2464/4885NSD2 1544/4885HTR2A 2908/4885

“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.