SCHEMBL3719006

SCHEMBL3719006

CC(C)N1CCN(Cc2ccc(-c3cncc(-c4cc(NC5CC5)nc(-c5ccccn5)c4)c3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.43
GPR39 O43194 1/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
TGFBR1 P36897 3/20 0.39
MCHR1 Q99705 1/20 0.39
DYRK2 Q92630 2/20 0.39
DYRK1A Q13627 3/20 0.39
GSK3B P49841 2/20 0.39
PIK3CD O00329 2/20 0.39
PIK3R1 P27986 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
CDK6 Q00534 3/20 0.38
CCND1 P24385 2/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38

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
SCHEMBL4186178 0.92 GPR39 (0.38) ACVR1GPR39DRD2DRD4DRD3
SCHEMBL3714748 0.89 TGFBR1 (0.46) GPR39DRD2DRD4DRD3TGFBR1
SCHEMBL3721740 0.89 TGFBR1 (0.42) ACVR1DRD2DRD4DRD3TGFBR1
SCHEMBL3718443 0.88 ACVR1 (0.41) ACVR1DYRK2DYRK1AGSK3BPIK3CD
SCHEMBL3718095 0.88 GPR39 (0.39) GPR39DRD2DRD4DRD3TGFBR1
SCHEMBL3721456 0.88 DRD2 (0.40) ACVR1GPR39DRD2DRD4DRD3
SCHEMBL3718893 0.87 DRD2 (0.40) ACVR1DRD2DRD4DRD3TGFBR1
SCHEMBL3723126 0.87 PIK3CD (0.40) ACVR1DRD2DRD4DRD3TGFBR1
SCHEMBL3808218 0.87 ABL1 (0.44) GPR39DRD2DRD4DRD3TGFBR1
SCHEMBL3717439 0.85 DRD2 (0.42) ACVR1DRD2DRD4DRD3TGFBR1

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 ACVR1 63/4885GPR39 222/4885DRD2 2577/4885

“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.