SCHEMBL512436

SCHEMBL512436

Cc1ncn(-c2ccc(N)cc2F)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
ALDH1A1 P00352 6/20 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
PSEN1 P49768 4/20 0.38
PSEN2 P49810 4/20 0.38
APH1B Q8WW43 4/20 0.38
NCSTN Q92542 4/20 0.38
APH1A Q96BI3 4/20 0.38
PSENEN Q9NZ42 4/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 3/20 0.35
THRB P10828 2/20 0.35
ALOX15 P16050 1/20 0.35
ATR Q13535 1/20 0.34
HSD17B10 Q99714 2/20 0.34
ADORA1 P30542 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
SCHEMBL29878633 1.00 MAPT (0.39) MAPTALDH1A1LMNAMAPK1GFER
SCHEMBL3431001 0.86 ALDH1A1 (0.41) MAPTALDH1A1LMNATDP1PSEN1
SCHEMBL16202018 0.83 PSEN1 (0.41) MAPTALDH1A1TDP1PSEN1PSEN2
SCHEMBL21195183 0.81 MAPT (0.39) MAPTALDH1A1LMNAMAPK1GFER
SCHEMBL19814290 0.81 MAPT (0.44) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL154207 0.81 TP53 (0.40) MAPTMAPK1PSEN1PSEN2APH1B
SCHEMBL20085586 0.80 MAPT (0.33) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL31284563 0.80 ALDH1A1 (0.49) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL20085553 0.78 PSEN1 (0.35) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL511425 0.78 NR4A1 (0.54) MAPTALDH1A1LMNAMAPK1PSEN1

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 61 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-10869934-B2 Antiproliferative compounds and conjugates made therefrom BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-22 US 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-10398783-B2 Antiproliferative compounds and conjugates made therefrom BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 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
EP-3481829-A1 FUSED PYRIMIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2019-05-15 EP disclosed
US-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM BRISTOL-MYERS SQUIBB COMPANY 2018-04-26 US 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
US-7473699-B2 3-cyclyl-5-(nitrogen-containing 5-membered ring)methyl-oxazolidinone derivatives and their use as antibacterial agents ASTRAZENECA AB (SE) 2009-01-06 US disclosed
US-7473699-B2 3-cyclyl-5-(nitrogen-containing 5-membered ring)methyl-oxazolidinone derivatives and their use as antibacterial agents ASTRAZENECA AB (SE) 2009-01-06 US disclosed
US-7473699-B2 3-cyclyl-5-(nitrogen-containing 5-membered ring)methyl-oxazolidinone derivatives and their use as antibacterial agents ASTRAZENECA AB (SE) 2009-01-06 US disclosed
US-20050119292-A1 3-Cyclyl-5-(nitrogen-containing 5-membered ring)methyl-oxazolidinone derivatives and their use as antibacterial agents ASTRAZENECA AB (SE) 2005-06-02 US disclosed
EP-1497286-A1 3-CYCLYL-5-(NITROGEN-CONTAINING 5-MEMBERED RING) METHYL-OXAZOLIDINONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Astrazeneca AB (SE) 2005-01-19 EP disclosed
WO-2003072575-A1 3-CYCLYL-5-(NITROGEN-CONTAINING 5-MEMBERED RING) METHYL-OXAZOLIDINONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2003-09-04 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 (9 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-20190233427-A1 BICYCLIC HETEROARYL DERIVATIVES HUWE1, CDR2, DBH MAPT 394/4885ALDH1A1 2017/4885LMNA 1783/4885
US-20190256517-A1 FUSED PYRIMIDINE DERIVATIVES C9, APP, HPGDS MAPT 392/4885ALDH1A1 3005/4885LMNA 1361/4885
US-20050119292-A1 3-Cyclyl-5-(nitrogen-containing 5-membered ring)methyl-oxazolidinone derivatives and their use as antibacterial agents H1-0, NGLY1, H1-5 MAPT 4834/4885ALDH1A1 2977/4885LMNA 1707/4885
US-10669276-B2 Fused pyrimidine derivatives APP, APOB, C9 MAPT 426/4885ALDH1A1 3117/4885LMNA 1238/4885
US-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB MAPT 23/4885ALDH1A1 2956/4885LMNA 643/4885
US-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM MKI67, HDGF, PCLAF MAPT 3696/4885ALDH1A1 314/4885LMNA 3410/4885
US-10869934-B2 Antiproliferative compounds and conjugates made therefrom MKI67, HDGF, PCLAF MAPT 3696/4885ALDH1A1 314/4885LMNA 3410/4885
US-10647721-B2 Bicyclic heteroaryl derivatives HUWE1, CDR2, DBH MAPT 394/4885ALDH1A1 2017/4885LMNA 1783/4885
US-10398783-B2 Antiproliferative compounds and conjugates made therefrom MKI67, HDGF, PCLAF MAPT 3696/4885ALDH1A1 314/4885LMNA 3410/4885

“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.