SCHEMBL3721740

SCHEMBL3721740

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
PIK3CD O00329 3/20 0.40
PIK3R1 P27986 3/20 0.40
PIK3CA P42336 3/20 0.40
PIK3CB P42338 3/20 0.40
PIK3CG P48736 3/20 0.40
CDK6 Q00534 4/20 0.39
CCND1 P24385 2/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
ACVR1 Q04771 2/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
KCNH2 Q12809 1/20 0.37

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 0.91 DRD2 (0.40) TGFBR1DRD2DRD4DRD3PIK3CD
SCHEMBL3721456 0.90 DRD2 (0.40) TGFBR1DRD2DRD4DRD3PIK3CD
SCHEMBL3718360 0.90 TGFBR1 (0.41) TGFBR1DRD2DRD4DRD3PIK3CD
SCHEMBL3723126 0.90 PIK3CD (0.40) TGFBR1DRD2DRD4DRD3PIK3CD
SCHEMBL3719006 0.89 ACVR1 (0.43) TGFBR1DRD2DRD4DRD3PIK3CD
SCHEMBL3717439 0.87 DRD2 (0.42) TGFBR1DRD2DRD4DRD3PIK3CD
SCHEMBL3718273 0.87 DRD2 (0.46) TGFBR1DRD2DRD4DRD3PIK3CD
SCHEMBL3717465 0.86 DRD2 (0.41) TGFBR1DRD2DRD4DRD3PIK3CD
SCHEMBL3725367 0.86 DRD2 (0.41) TGFBR1DRD2DRD4DRD3PIK3CD
SCHEMBL3717948 0.86 DRD2 (0.41) TGFBR1DRD2DRD4DRD3PIK3CD

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.