SCHEMBL238665

SCHEMBL238665

Cc1nn2c(ncc3cc(-c4ccccc4)c(Cl)nc32)c1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.53
PIM1 P11309 5/20 0.53
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALOX15 P16050 1/20 0.47
ACVR1 Q04771 3/20 0.46
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.38
SQOR Q9Y6N5 2/20 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
SCHEMBL237844 0.86 PIM1 (0.53) NTRK1PIM1KDM4EALDH1A1HPGD
SCHEMBL238250 0.77 MAPT (0.55) KDM4EALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL235881 0.76 RAB9A (0.48) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL10334799 0.74 KDM4E (0.63) NTRK1PIM1KDM4EALDH1A1HPGD
SCHEMBL234825 0.73 AKT1 (0.47) NTRK1PIM1
SCHEMBL234826 0.73 AKT1 (0.47) NTRK1PIM1
SCHEMBL2755217 0.72 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL3296447 0.72 KDM4E (0.61) NTRK1PIM1KDM4EALDH1A1HPGD
SCHEMBL236731 0.71 RAB9A (0.39) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL237538 0.71 NPC1 (0.46) KDM4EALDH1A1HPGDSMN1; SMN2ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 NTRK1 2094/4885PIM1 355/4885KDM4E 2166/4885

“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.