Sugi Predict

Sugi Predict / Compounds / SCHEMBL213720

SCHEMBL213720

SCHEMBL213720

NC(=O)c1[nH]cnc1C(=O)N(Cc1ccccc1Cl)c1nc2ccccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ CASP6 P55212 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL213971 0.86 PAX8 (0.43) ALDH1A1HPGDHTTLMNACYP1A2
SCHEMBL216144 0.86 SMN1; SMN2 (0.42) ALDH1A1HPGDHTTLMNACYP1A2
SCHEMBL213584 0.84 CYP1A2 (0.38) ALDH1A1HPGDHTTLMNACYP1A2
SCHEMBL215003 0.83 SMN1; SMN2 (0.37) ALDH1A1HPGDHTTLMNACYP1A2
SCHEMBL215700 0.83 SMN1; SMN2 (0.40) LMNACYP1A2CYP2D6CYP2C19PAX8
SCHEMBL214647 0.81 POLB (0.38) ALDH1A1HPGDHTTLMNACYP1A2
SCHEMBL214977 0.81 POLB (0.38) ALDH1A1HPGDHTTLMNACYP1A2
SCHEMBL213852 0.80 POLB (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL212933 0.79 PAX8 (0.38) ALDH1A1HPGDHTTLMNACYP1A2
SCHEMBL213907 0.79 NPC1 (0.41) ALDH1A1LMNAPAX8NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 4295/4885CASP6 2430/4885HPGD 3138/4885

“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.