SCHEMBL2028778

SCHEMBL2028778

Clc1nc2ccc3nnc(-c4cnccn4)n3c2nc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 4/20 0.37
TYMS P04818 1/20 0.37
TERT O14746 1/20 0.36
PIM1 P11309 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GPR84 Q9NQS5 2/20 0.34
P2RX7 Q99572 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
METAP2 P50579 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
USP2 O75604 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL1674484 0.85 TYMS (0.41) KDM4EPKMALDH1A1TYMSSMN1; SMN2
SCHEMBL2027037 0.79 AKT1 (0.49)
Hydrochloric Acid SCHEMBL2028795 0.78 AKT1 (0.48)
SCHEMBL1674600 0.77 KDM4E (0.50) KDM4EPKMALDH1A1TYMSRAB9A
SCHEMBL1674474 0.76 KDM4E (0.45) KDM4EPKMALDH1A1TYMSRAB9A
SCHEMBL1674617 0.74 AKT1 (0.53)
SCHEMBL1674616 0.74 AKT1 (0.53)
SCHEMBL2030949 0.72 HSD11B1 (0.35)
SCHEMBL1674593 0.70 KDM4E (0.41) KDM4EPKMALDH1A1TYMSRAB9A
SCHEMBL1674634 0.68 ALDH1A1 (0.41) KDM4EPKMALDH1A1TYMSSMN1; 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2104669-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2014-10-15 EP disclosed
US-8288407-B2 Substituted naphthyridine compounds as inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2012-10-16 US disclosed
US-8288407-B2 Substituted naphthyridine compounds as inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2012-10-16 US disclosed
US-8288407-B2 Substituted naphthyridine compounds as inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2012-10-16 US disclosed
US-20110160183-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2011-06-30 US disclosed
US-20110160183-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2011-06-30 US disclosed
US-20110160183-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2011-06-30 US disclosed
US-20090253734-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-20090253734-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-20090253734-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-7576209-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-08-18 US disclosed
US-7576209-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-08-18 US disclosed
US-7576209-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-08-18 US disclosed
US-20080161317-A1 Inhibitors of Akt activity MERCK SHARP & DOHME LLC 2008-07-03 US disclosed
US-20080161317-A1 Inhibitors of Akt activity MERCK SHARP & DOHME LLC 2008-07-03 US disclosed
US-20080161317-A1 Inhibitors of Akt activity MERCK SHARP & DOHME LLC 2008-07-03 US disclosed
WO-2008070016-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2008-06-12 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-20080161317-A1 Inhibitors of Akt activity PIK3CD, PIK3CA, PIK3CG KDM4E 1781/4885PKM 1663/4885ALDH1A1 3680/4885
US-20110160183-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3CG KDM4E 1781/4885PKM 1663/4885ALDH1A1 3680/4885
US-20090253734-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3CG KDM4E 1781/4885PKM 1663/4885ALDH1A1 3680/4885

“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.