SCHEMBL3716702

SCHEMBL3716702

[2H]C([2H])([2H])N1CCN(Cc2ccc(-c3cncc(-c4cc(-c5ccccn5)nc(C(C)(C)O)c4)c3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
TGFBR1 P36897 3/20 0.40
ABL1 P00519 2/20 0.39
KIT P10721 2/20 0.39
BCR P11274 1/20 0.39
TNIK Q9UKE5 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MCHR1 Q99705 1/20 0.36
ABL2 P42684 1/20 0.36
AKT1 P31749 7/20 0.36
AKT2 P31751 7/20 0.36
CHKA P35790 1/20 0.35

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
SCHEMBL3718092 0.90 DRD2 (0.41) DRD2DRD4DRD3TGFBR1ABL1
SCHEMBL3715980 0.88 ACVR1 (0.41) DRD2DRD4DRD3TGFBR1ABL1
SCHEMBL3723604 0.88 ABL1 (0.46) DRD2DRD4DRD3TGFBR1ABL1
SCHEMBL3719755 0.84 TBK1 (0.44) MCHR1
SCHEMBL3722539 0.84 DRD2 (0.41) DRD2DRD4DRD3TGFBR1ABL1
SCHEMBL3716643 0.84 ABL1 (0.48) TGFBR1ABL1BCRALDH1A1TSHR
SCHEMBL3801968 0.83 AKT1 (0.39) TGFBR1AKT1AKT2
SCHEMBL3725181 0.82 AKT1 (0.40) ABL1KITABL2AKT1AKT2
SCHEMBL3723005 0.82 ABL1 (0.37) DRD2DRD4DRD3TGFBR1ABL1
SCHEMBL3725367 0.81 DRD2 (0.41) DRD2DRD4DRD3TGFBR1ABL1

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.