SCHEMBL3677516

SCHEMBL3677516

C=Cc1c(-c2cncc(N)c2)n(C)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
TEK Q02763 1/20 0.45
CYP11B2 P19099 6/20 0.44
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2C19 P33261 1/20 0.35
PABPC1 P11940 1/20 0.35
GPR3 P46089 1/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.34
TLR9 Q9NR96 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3675563 0.81 CYP11B2 (0.45) ALDH1A1LMNATEKCYP11B2MAPT
SCHEMBL1605141 0.78 CYP11B2 (0.71) ALDH1A1LMNACYP11B2POLBMAPT
SCHEMBL10528743 0.77 ALDH1A1 (0.71) ALDH1A1LMNATEKPOLBMAPT
SCHEMBL3685276 0.77 CYP11B2 (0.68) ALDH1A1LMNACYP11B2HSD17B10NPC1
SCHEMBL3677515 0.69 ALDH1A1 (0.41) ALDH1A1LMNATEKCYP11B2POLB
SCHEMBL7953904 0.69 ALDH1A1 (0.53) ALDH1A1LMNACYP11B2POLBMAPT
SCHEMBL1606216 0.67 CYP11B2 (0.52) ALDH1A1LMNACYP11B2POLBMAPT
SCHEMBL1606762 0.67 KMT2A (0.58) ALDH1A1CYP11B2MAPTHSD17B10NPC1
SCHEMBL7811410 0.67 LMNA (0.71) ALDH1A1LMNATEKCYP11B2POLB
SCHEMBL19365233 0.66 GPR3 (0.50) ALDH1A1LMNAPOLBMAPTSMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 EP disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 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 (3 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-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 ALDH1A1 93/4885LMNA 3214/4885TEK 3978/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 ALDH1A1 110/4885LMNA 3337/4885TEK 3927/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 ALDH1A1 110/4885LMNA 3337/4885TEK 3927/4885

“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.