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SCHEMBL214151

SCHEMBL214151

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.37
▸ RAB9A P51151 5/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ MAPT P10636 6/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAOB P27338 1/20 0.35
▸ GAA P10253 3/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ P2RY12 Q9H244 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL214218 0.88 ALDH1A1 (0.40) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL216894 0.85 MEN1 (0.36) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL217226 0.82 MEN1 (0.48) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL213847 0.80 KMT2A (0.44) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL215549 0.79 NPC1 (0.41) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL213393 0.77 MAPT (0.46) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL2735333 0.77 ALDH1A1 (0.42) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL216491 0.76 NTRK1 (0.47) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL214669 0.74 MAPT (0.39) MAPTTP53SMN1; SMN2
SCHEMBL217152 0.74 CHEK2 (0.47) NPC1RAB9AALDH1A1LMNAPDE3B

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 8 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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 — — EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 — — 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 (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 NPC1 3307/4885RAB9A 2213/4885ALDH1A1 4295/4885

“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.