SCHEMBL213206

SCHEMBL213206

Cc1ccc(NC(=O)c2ncn(-c3nc4ccccc4s3)c2C(N)=O)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.51
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MAPT P10636 8/20 0.43
RXFP1 Q9HBX9 3/20 0.42
CISD2 Q8N5K1 1/20 0.41
GPX4 P36969 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.40
SCD O00767 1/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL215112 0.83 NPC1 (0.45) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL217226 0.79 MEN1 (0.48) TP53LMNASMN1; SMN2NPC1RAB9A
SCHEMBL214402 0.75 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL214850 0.74 NPC1 (0.42) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL216491 0.73 NTRK1 (0.47) TP53SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL215549 0.72 NPC1 (0.41) SMN1; SMN2NPC1RAB9AMAPTCISD2
SCHEMBL2735321 0.70 NPC1 (0.54) TP53LMNASMN1; SMN2NPC1RAB9A
SCHEMBL214714 0.70 MAPT (0.44) TP53LMNASMN1; SMN2NPC1RAB9A
SCHEMBL213393 0.69 MAPT (0.46) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL214349 0.68 APEX1 (0.38) TP53LMNASMN1; SMN2MAPTALDH1A1

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
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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO 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 TP53 1743/4885LMNA 4821/4885SMN1; 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.