SCHEMBL3801968

SCHEMBL3801968

CC1CN(Cc2ccc(-c3cncc(-c4cc(-c5ccccn5)nc(C(C)(C)O)c4)c3)cc2)CC(C)N1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 6/20 0.39
AKT2 P31751 6/20 0.39
MLNR O43193 11/20 0.38
CYP3A4 P08684 6/20 0.38
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
TGFBR1 P36897 1/20 0.36
CYP2D6 P10635 1/20 0.35
GHSR Q92847 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
SCHEMBL3725181 0.91 AKT1 (0.40) AKT1AKT2MLNR
SCHEMBL3723604 0.86 ABL1 (0.46) AKT1AKT2TGFBR1
SCHEMBL3718092 0.84 DRD2 (0.41) AKT1AKT2TGFBR1
SCHEMBL3716702 0.83 DRD2 (0.40) AKT1AKT2TGFBR1
SCHEMBL3715980 0.83 ACVR1 (0.41) AKT1AKT2TGFBR1
SCHEMBL3723005 0.82 ABL1 (0.37) AKT1AKT2TGFBR1CYP2D6
SCHEMBL3719755 0.79 TBK1 (0.44)
SCHEMBL3725367 0.76 DRD2 (0.41) TGFBR1
SCHEMBL3718535 0.75 GHSR (0.42) TGFBR1GHSR
SCHEMBL3722316 0.75 ACVR1B (0.43) TGFBR1

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 AKT1 2658/4885AKT2 2471/4885MLNR 862/4885

“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.