SCHEMBL238712

SCHEMBL238712

Cc1cc2ncc3cc(-c4ccc(C#N)cc4)c(=O)[nH]c3n2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
PLAT P00750 1/20 0.39
ACVR1 Q04771 1/20 0.38
AURKA O14965 1/20 0.38
KDR P35968 1/20 0.38
AURKB Q96GD4 1/20 0.38
EGLN2 Q96KS0 3/20 0.37
TYMP P19971 1/20 0.37
CYP11B2 P19099 2/20 0.36
CHEK1 O14757 1/20 0.35
TDP2 O95551 3/20 0.35
EGLN1 Q9GZT9 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 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
SCHEMBL234726 0.89 PLAT (0.42) PLATEGLN2TYMPTDP2
SCHEMBL237778 0.85 POLB (0.47) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL238920 0.85 NPC1 (0.56) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL237769 0.85 AURKA (0.46) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL236176 0.84 HTT (0.47) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL236941 0.83 GABRA1 (0.41) HPGDNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL236940 0.80 KDR (0.41) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL238222 0.79 KMT2A (0.43) HPGDKMT2APLATAURKAKDM4E
SCHEMBL238239 0.79 BTK (0.38) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL236899 0.78 CHEK1 (0.51) HPGDNPC1RAB9ASMN1; SMN2MEN1

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 5 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

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 HPGD 3459/4885NPC1 1127/4885RAB9A 778/4885

“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.