Sugi Predict

Sugi Predict / Compounds / SCHEMBL213682

SCHEMBL213682

SCHEMBL213682

Cc1cc(OC2CN(C(=O)OC(C)(C)C)C2)ccc1NC(=O)c1[nH]cnc1C(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ BACE1 P56817 7/20 0.41
▸ ALPL P05186 1/20 0.40
▸ ALPI P09923 1/20 0.40
▸ ALPG P10696 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ BACE2 Q9Y5Z0 2/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL2735400 1.00 KMT2A (0.42) KMT2AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL216739 0.94 KMT2A (0.42) KMT2AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL216702 0.93 ALPL (0.45) KMT2AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL215816 0.93 ALPL (0.45) KMT2AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL215807 0.91 BACE1 (0.40) KMT2AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL13300236 0.88 ATM (0.39) KMT2AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL216823 0.87 ALPL (0.45) KMT2AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL214565 0.86 ALPL (0.45) KMT2AMAPTALDH1A1ALPLALPI
SCHEMBL2735401 0.86 KMT2A (0.47) KMT2AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL2735278 0.86 KMT2A (0.47) KMT2AMAPTSMN1; SMN2KDM4EALDH1A1

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 11 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-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 KMT2A 437/4885MAPT 2138/4885SMN1; 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.