SCHEMBL238932

SCHEMBL238932

c1ccc(-c2nnc(C3CCNCC3)[nH]2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 1/20 0.43
METAP1 P53582 4/20 0.42
METAP2 P50579 3/20 0.42
LMNA P02545 3/20 0.42
NPC1 O15118 2/20 0.42
PKM P14618 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MTOR P42345 1/20 0.42
HPGDS O60760 1/20 0.40
BTK Q06187 1/20 0.40
HTR1A P08908 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
HTR7 P34969 2/20 0.39
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
NPY5R Q15761 1/20 0.38

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
SCHEMBL19385297 0.92 HPGDS (0.42) PLATMETAP1METAP2LMNANPC1
Trifluoroacetic Acid SCHEMBL2277078 0.88 SCN9A (0.39) PLATNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL2755244 0.81 HPGDS (0.40) HPGDSHTR1ASLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL29562529 0.81 JAK3 (0.38) PLATHPGDS
Hydrochloric Acid SCHEMBL239078 0.80 HPGDS (0.40) HPGDSHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL12375969 0.79 METAP2 (0.39) METAP2HPGDSNPY5RNISCH
SCHEMBL2755243 0.79 MAP3K12 (0.42) PLATMETAP2HTR1ASLC6A2SLC6A4
SCHEMBL3941345 0.78 HPGDS (0.50) PLATNPC1RAB9AHPGDSSLC18A3
SCHEMBL2755247 0.78 CCR1 (0.42) METAP2HPGDSSLC18A3SIGMAR1CCR1
SCHEMBL2755239 0.76 HTR1A (0.45) HTR1ASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017075052-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2017-05-04 WO disclosed
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 US disclosed
EP-1898903-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2013-03-27 EP disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-8008317-B2 Inhibitors of akt activtiy MERCK SHARP & DOHME CORP. (US) 2011-08-30 US disclosed
US-8008317-B2 Inhibitors of akt activtiy MERCK SHARP & DOHME CORP. (US) 2011-08-30 US disclosed
US-20100222321-A1 Inhibitors of akt activtiy MERCK SHARP & DOHME LLC 2010-09-02 US disclosed
US-20100222321-A1 Inhibitors of akt activtiy MERCK SHARP & DOHME LLC 2010-09-02 US disclosed
US-7544677-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-06-09 US disclosed
US-20070254901-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2007-11-01 US 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-20100222321-A1 Inhibitors of akt activtiy PIK3CA, PIK3CD, INPP5D PLAT 1010/4885METAP1 2416/4885METAP2 3211/4885
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 PLAT 1906/4885METAP1 2867/4885METAP2 3452/4885
US-20070254901-A1 Inhibitors of Akt Activity AKT1, AKT2, PIK3CD PLAT 2277/4885METAP1 609/4885METAP2 837/4885

“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.