SCHEMBL512812

SCHEMBL512812

Cc1ncnn1-c1ccc(N)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
THRB P10828 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 1/20 0.35
ATR Q13535 1/20 0.34
CYP17A1 P05093 2/20 0.33
BRD4 O60885 1/20 0.33
ALOX5AP P20292 2/20 0.33
KIT P10721 1/20 0.33
NR4A1 P22736 2/20 0.33
GAA P10253 1/20 0.33
PTK2B Q14289 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL29877763 1.00 ALDH1A1 (0.39) ALDH1A1MAPTLMNAMAPK1GFER
SCHEMBL12693213 0.83 NPC1 (0.46) MAPTLMNAMAPK1ALOX15CYP17A1
SCHEMBL19814656 0.81 MAPT (0.44) ALDH1A1MAPTLMNATDP1MEN1
SCHEMBL511854 0.78 NR4A1 (0.54) ALDH1A1MAPTLMNAMAPK1MEN1
SCHEMBL19814266 0.77 KDM4E (0.49) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL367990 0.75 MAPT (0.47) ALDH1A1MAPTLMNAMAPK1TDP1
SCHEMBL960631 0.74 ALDH1A1 (0.39) ALDH1A1MAPTLMNAMAPK1GFER
SCHEMBL12918123 0.73 NOS3 (0.38) ADRA2AADRA2BADRA2C
SCHEMBL361403 0.73 NR4A1 (0.35) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL16017445 0.72 KDM4E (0.47) ALDH1A1MAPTLMNAMAPK1GFER

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481829-B1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-04-07 EP disclosed
EP-3523304-B1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
US-10669276-B2 Fused pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-02 US disclosed
US-10647721-B2 Bicyclic heteroaryl derivatives HOFFMANN-LA ROCHE INC. (US) 2020-05-12 US disclosed
US-20190256517-A1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-08-22 US disclosed
US-20190233427-A1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-08-01 US disclosed
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-26 US disclosed
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-26 US disclosed
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-26 US disclosed
EP-2459197-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-10-14 EP disclosed
US-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US disclosed
US-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US disclosed
WO-2011014535-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-03 WO disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
CN-101952275-A Modulators for amyloid beta HOFFMANN LA ROCHE 2011-01-19 CN disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
WO-2010094647-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-08-26 WO disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 WO disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 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 (8 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-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP ALDH1A1 1956/4885MAPT 15/4885LMNA 2174/4885
US-20190233427-A1 BICYCLIC HETEROARYL DERIVATIVES HUWE1, CDR2, DBH ALDH1A1 2017/4885MAPT 394/4885LMNA 1783/4885
US-20190256517-A1 FUSED PYRIMIDINE DERIVATIVES C9, APP, HPGDS ALDH1A1 3005/4885MAPT 392/4885LMNA 1361/4885
US-10669276-B2 Fused pyrimidine derivatives APP, APOB, C9 ALDH1A1 3117/4885MAPT 426/4885LMNA 1238/4885
US-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB ALDH1A1 2956/4885MAPT 23/4885LMNA 643/4885
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 ALDH1A1 1819/4885MAPT 15/4885LMNA 1290/4885
US-10647721-B2 Bicyclic heteroaryl derivatives HUWE1, CDR2, DBH ALDH1A1 2017/4885MAPT 394/4885LMNA 1783/4885
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP ALDH1A1 1956/4885MAPT 15/4885LMNA 2174/4885

“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.