SCHEMBL3663909

SCHEMBL3663909

Brc1cncc(-c2cc(NC3CCCC3)nc(-c3ccccn3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR39 O43194 3/20 0.54
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TRPM8 Q7Z2W7 2/20 0.40
HTT P42858 2/20 0.40
HSP90AA1 P07900 1/20 0.40
SLC2A1 P11166 1/20 0.40
KMT2A Q03164 1/20 0.40
NCOA1 Q15788 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FLT3 P36888 2/20 0.39
TYRO3 Q06418 2/20 0.39

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
SCHEMBL3664859 0.98 GPR39 (0.51) GPR39LMNASMN1; SMN2NPSR1KDM4E
SCHEMBL3665002 0.96 GPR39 (0.47) GPR39TRPM8FLT3TYRO3MERTK
SCHEMBL3662536 0.82 GPR39 (0.55) GPR39TRPM8SLC2A1FLT3TYRO3
SCHEMBL3659080 0.81 CYP1A2 (0.45) GPR39LMNASMN1; SMN2NPSR1TRPM8
SCHEMBL3661666 0.80 GPR39 (0.45) GPR39FLT3TYRO3MERTKGAS6
SCHEMBL3662671 0.79 EGFR (0.37) GPR39CDC7
SCHEMBL3661769 0.79 KDM4E (0.37) GPR39LMNASMN1; SMN2NPSR1KDM4E
SCHEMBL3667875 0.79 GPR39 (0.37) GPR39LMNASMN1; SMN2NPSR1KDM4E
SCHEMBL4192009 0.78 GPR39 (0.43) GPR39FLT3TYRO3MERTKGAS6
SCHEMBL3663705 0.78 GPR39 (0.43) GPR39TRPM8FLT3TYRO3MERTK

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 GPR39 222/4885LMNA 903/4885SMN1; SMN2 612/4885

“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.