SCHEMBL214218

SCHEMBL214218

Cc1ccc(NC(=O)c2ncn(-c3nc4ccc(OCC(=O)NCCN(C)C)cc4[nH]3)c2C(N)=O)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 3/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.34
MCHR1 Q99705 1/20 0.34
ATM Q13315 2/20 0.34
HTT P42858 1/20 0.34
HSP90AA1 P07900 1/20 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
SCHEMBL214151 0.88 NPC1 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL216894 0.87 MEN1 (0.36) ALDH1A1SMN1; SMN2PKMMEN1KMT2A
SCHEMBL213847 0.79 KMT2A (0.44) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL2735334 0.79 ALDH1A1 (0.43) ALDH1A1NPSR1SMN1; SMN2PKMMEN1
SCHEMBL217226 0.78 MEN1 (0.48) ALDH1A1NPSR1SMN1; SMN2PKMMEN1
SCHEMBL217152 0.76 CHEK2 (0.47) ALDH1A1NPC1RAB9ALMNA
SCHEMBL215549 0.75 NPC1 (0.41) ALDH1A1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL213393 0.74 MAPT (0.46) ALDH1A1NPSR1SMN1; SMN2PKMMEN1
SCHEMBL216491 0.73 NTRK1 (0.47) ALDH1A1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL215788 0.71 MAPT (0.37) ALDH1A1NPSR1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 ALDH1A1 4295/4885NPSR1 4218/4885SMN1; SMN2 2516/4885

“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.