SCHEMBL3718360

SCHEMBL3718360

CC(C)Nc1cc(-c2cncc(-c3ccc(CN4CCN(C(C)(C)C)CC4)cc3)c2)cc(-c2ccccn2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
PIK3R1 P27986 2/20 0.37
PIK3CD O00329 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
AKT1 P31749 5/20 0.36
AKT2 P31751 5/20 0.36
TNIK Q9UKE5 1/20 0.36
ABL1 P00519 1/20 0.36
KIT P10721 1/20 0.36
ABL2 P42684 1/20 0.36
DYRK1A Q13627 2/20 0.36
WNT1 P04628 1/20 0.36
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 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
SCHEMBL3729038 0.92 DRD2 (0.37) TGFBR1DRD2DRD4DRD3CYP1A2
SCHEMBL3715527 0.90 DRD2 (0.40) TGFBR1DRD2DRD4DRD3PIK3R1
SCHEMBL3721740 0.90 TGFBR1 (0.42) TGFBR1DRD2DRD4DRD3PIK3R1
SCHEMBL3721898 0.87 GPR39 (0.44) TGFBR1DRD2DRD4DRD3PIK3R1
SCHEMBL3718095 0.87 GPR39 (0.39) TGFBR1DRD2DRD4DRD3PIK3R1
SCHEMBL3718534 0.86 DRD2 (0.42) TGFBR1DRD2DRD4DRD3PIK3R1
SCHEMBL3722419 0.86 GPR39 (0.48) TGFBR1DRD2DRD4DRD3PIK3R1
SCHEMBL3718489 0.84 DRD2 (0.41) TGFBR1DRD2DRD4DRD3PIK3R1
SCHEMBL3718092 0.84 DRD2 (0.41) TGFBR1DRD2DRD4DRD3PIK3R1
SCHEMBL3723126 0.83 PIK3CD (0.40) TGFBR1DRD2DRD4DRD3PIK3R1

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 TGFBR1 187/4885DRD2 2577/4885DRD4 2342/4885

“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.