SCHEMBL3721576

SCHEMBL3721576

[2H]C([2H])([2H])Nc1cc(-c2cncc(-c3cccc(CN4CCN(C(C)C)CC4)c3)c2)cc(-c2ccccn2)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.37
DRD4 P21917 9/20 0.37
DRD3 P35462 9/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.36
LRRK2 Q5S007 1/20 0.35
CCND1 P24385 2/20 0.35
CDK6 Q00534 2/20 0.35
WNT1 P04628 1/20 0.35
DYRK1A Q13627 1/20 0.35
KDR P35968 3/20 0.35
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
PDE2A O00408 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
SCHEMBL3718893 0.92 DRD2 (0.40) DRD2DRD4DRD3ALDH1A1CCND1
SCHEMBL3720561 0.89 DRD2 (0.37) DRD2DRD4DRD3ALDH1A1KDM4E
SCHEMBL4186178 0.88 GPR39 (0.38) DRD2DRD4DRD3ALDH1A1KDM4E
SCHEMBL3721695 0.86 LRRK2 (0.41) DRD2DRD4DRD3ALDH1A1KDM4E
SCHEMBL3720795 0.85 DRD2 (0.38) DRD2DRD4DRD3ALDH1A1KDM4E
SCHEMBL3719893 0.84 GSK3B (0.43) DRD2DRD4DRD3WNT1DYRK1A
SCHEMBL3721740 0.83 TGFBR1 (0.42) DRD2DRD4DRD3ALDH1A1CCND1
SCHEMBL3729038 0.82 DRD2 (0.37) DRD2DRD4DRD3ALDH1A1MAPT
SCHEMBL3722539 0.81 DRD2 (0.41) DRD2DRD4DRD3ALDH1A1DYRK1A
SCHEMBL3721456 0.80 DRD2 (0.40) DRD2DRD4DRD3ALDH1A1CCND1

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
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK DRD2 2577/4885DRD4 2342/4885DRD3 1965/4885

“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.