Sugi Predict

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SCHEMBL214010

SCHEMBL214010

Cc1ccc(NC(=O)c2nc[nH]c2C(=O)NCCc2c[nH]c3ccccc23)c(C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.63
▸ NPC1 O15118 2/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ ATM Q13315 1/20 0.62
▸ PTGS2 P35354 4/20 0.57
▸ PTGS1 P23219 1/20 0.57
▸ MAPT P10636 7/20 0.57
▸ MEN1 O00255 6/20 0.57
▸ KMT2A Q03164 6/20 0.57
▸ HTT P42858 2/20 0.57
▸ SIRT1 Q96EB6 1/20 0.56
▸ CRHBP P24387 1/20 0.54
▸ CRHR2 Q13324 1/20 0.54
▸ CDK4 P11802 2/20 0.53
▸ CCND1 P24385 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52

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
SCHEMBL213157 0.80 MAPT (0.80) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL2735308 0.78 MAPT (0.50) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL2735324 0.76 ALDH1A1 (0.56) ALDH1A1NPC1RAB9APTGS2MAPT
SCHEMBL214875 0.76 ALDH1A1 (0.60) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL216711 0.74 ALDH1A1 (0.64) ALDH1A1NPC1RAB9AMAPTMEN1
SCHEMBL8265777 0.74 ALDH1A1 (0.69) ALDH1A1NPC1RAB9AATMPTGS2
SCHEMBL28890311 0.73 PTGS2 (0.83) NPC1RAB9AATMPTGS2PTGS1
SCHEMBL28890985 0.73 PTGS2 (1.00) NPC1RAB9AATMPTGS2PTGS1
SCHEMBL2759942 0.73 NPC1 (0.54) ALDH1A1NPC1RAB9AMAPTMEN1
SCHEMBL4105577 0.73 GAA (0.55) ALDH1A1NPC1RAB9AMAPTMEN1

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 10 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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 — — US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 — — US disclosed
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
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 — — 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
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 ALDH1A1 4295/4885NPC1 3307/4885RAB9A 2213/4885

“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.