SCHEMBL1137587

SCHEMBL1137587

Clc1nc(-c2ccccn2)ncc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.57
RAB9A P51151 6/20 0.57
NPC1 O15118 5/20 0.57
LMNA P02545 4/20 0.57
HPGD P15428 2/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
METAP1 P53582 1/20 0.54
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
TP53 P04637 5/20 0.47
PKM P14618 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TGFBR1 P36897 1/20 0.46
CYP2A6 P11509 1/20 0.46
HPGDS O60760 2/20 0.46
TSHR P16473 3/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL17412412 0.83 KMT2A (0.52) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL4024847 0.81 KDM4E (0.50) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL1137830 0.81 KDM4E (0.48) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL12397268 0.81 KDM4E (0.48) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL21585744 0.77 MAP4K4 (0.47) SMN1; SMN2RAB9ANPC1LMNAKDM4E
SCHEMBL17065539 0.76 ADORA1 (0.48) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL27511791 0.74 KDM4E (0.65) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL30719914 0.74 KDM4E (0.65) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL21338495 0.73 HPGDS (0.63) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL3626896 0.73 ALDH1A1 (0.42) SMN1; SMN2RAB9ANPC1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003643-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2011-08-23 US disclosed
US-8003643-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2011-08-23 US disclosed
EP-1737843-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2011-02-23 EP disclosed
US-20100075970-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. 2010-03-25 US disclosed
US-20100075970-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. 2010-03-25 US disclosed
US-20100075970-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. 2010-03-25 US disclosed
US-7655649-B2 Cancer; N,N-dimethyl-5-phenyl-6-(4-{[4-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidin-1-yl]methyl}phenyl) pyridazin-3-amine;; serine/threonine kinase (Akt) suppression; increased cellular potency or solubility, enhanced pharmacokinetic properties MERCK SHARP & DOHME CORP. (US) 2010-02-02 US disclosed
US-7655649-B2 Cancer; N,N-dimethyl-5-phenyl-6-(4-{[4-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidin-1-yl]methyl}phenyl) pyridazin-3-amine;; serine/threonine kinase (Akt) suppression; increased cellular potency or solubility, enhanced pharmacokinetic properties MERCK SHARP & DOHME CORP. (US) 2010-02-02 US disclosed
US-7655649-B2 Cancer; N,N-dimethyl-5-phenyl-6-(4-{[4-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidin-1-yl]methyl}phenyl) pyridazin-3-amine;; serine/threonine kinase (Akt) suppression; increased cellular potency or solubility, enhanced pharmacokinetic properties MERCK SHARP & DOHME CORP. (US) 2010-02-02 US disclosed
EP-1737843-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2009-01-28 EP disclosed
US-20080280889-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-20080280889-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-20080280889-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
CN-1942465-A Inhibitors of AKT activity MERCK & CO INC (US) 2007-04-04 CN disclosed
EP-1737843-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2007-01-03 EP disclosed
WO-2005100344-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2005-10-27 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 (2 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-20100075970-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, AKT2, AKT1 SMN1; SMN2 3486/4885RAB9A 2312/4885NPC1 2333/4885
US-20080280889-A1 Inhibitors of Akt Activity AKT2, PIK3CA, AKT1 SMN1; SMN2 3267/4885RAB9A 2184/4885NPC1 2104/4885

“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.