SCHEMBL3718535

SCHEMBL3718535

CC1CN(C(=O)c2ccc(-c3cncc(-c4cc(-c5ccccn5)nc(C(C)(C)O)c4)c3)cc2)CC(C)N1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.42
ABL1 P00519 3/20 0.42
BCR P11274 3/20 0.42
PDK1 Q15118 2/20 0.42
PDK2 Q15119 2/20 0.42
SLC6A7 Q99884 2/20 0.41
GSK3B P49841 1/20 0.39
MAPT P10636 1/20 0.39
TACR3 P29371 1/20 0.37
SMO Q99835 1/20 0.37
HCRTR2 O43614 1/20 0.36
TGFBR1 P36897 1/20 0.36
NPY5R Q15761 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL3725223 0.83 GHSR (0.45) GHSRABL1BCRSLC6A7GSK3B
SCHEMBL3716643 0.83 ABL1 (0.48) ABL1BCRSLC6A7MAPTTACR3
SCHEMBL3726910 0.76 GHSR (0.46) GHSRABL1BCRSLC6A7GSK3B
SCHEMBL3722316 0.76 ACVR1B (0.43) PDK2TGFBR1
SCHEMBL3801968 0.75 AKT1 (0.39) GHSRTGFBR1
SCHEMBL3729499 0.75 GHSR (0.41) GHSRABL1BCRSLC6A7MAPT
SCHEMBL3727963 0.74 ABL1 (0.50) ABL1BCRSLC6A7GSK3B
SCHEMBL3725181 0.73 AKT1 (0.40) ABL1
SCHEMBL4174996 0.73 GHSR (0.43) GHSRABL1BCRSLC6A7GSK3B
SCHEMBL3719738 0.73 POLB (0.49) ABL1BCRSLC6A7GSK3BTGFBR1

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 GHSR 1251/4885ABL1 3285/4885BCR 3455/4885

“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.