SCHEMBL3570969

SCHEMBL3570969

Nc1ccc(N2CCC(N3CCN(C(=O)O)CC3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.53
CASP6 P55212 1/20 0.53
L3MBTL3 Q96JM7 4/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
MBTD1 Q05BQ5 2/20 0.52
TP53BP1 Q12888 1/20 0.52
L3MBTL4 Q8NA19 1/20 0.52
CXCR4 P61073 1/20 0.51
HRH3 Q9Y5N1 4/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 5/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
THRB P10828 1/20 0.45
HIF1A Q16665 2/20 0.44
MEN1 O00255 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
SCHEMBL854196 0.84 GFER (0.71) GFERCASP6L3MBTL1ALOX15KDM4E
SCHEMBL3486877 0.83 GFER (0.53) GFERCASP6L3MBTL3L3MBTL1MBTD1
SCHEMBL19595723 0.82 HRH3 (0.50) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL13313520 0.80 GPR119 (0.59) GFERCASP6L3MBTL1HRH3ALDH1A1
SCHEMBL4969367 0.80 KDM4E (0.67) L3MBTL3L3MBTL1MBTD1CXCR4KDM4E
SCHEMBL2236451 0.79 L3MBTL3 (0.81) GFERL3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL1047477 0.79 MAPT (0.57) GFERCASP6L3MBTL3L3MBTL1MBTD1
SCHEMBL2362329 0.78 GFER (0.63) GFERCASP6L3MBTL1ALOX15KDM4E
SCHEMBL156422 0.78 ALDH1A1 (0.68) GFERL3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL77669 0.78 L3MBTL3 (0.79) GFERL3MBTL3L3MBTL1MBTD1TP53BP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2109605-B1 2- [(PHENYLAMINO) -PYRIMIDIN-4YLAMIN0] -CYCLOPENTANE CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF KINASES OF THE CELL CYCLE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2013-02-20 EP disclosed
US-20100144706-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 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 (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-20100144706-A1 Compounds MKI67, CCNA1, CCNT1 GFER 3643/4885CASP6 1043/4885L3MBTL3 2662/4885

“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.