Sugi Predict

Sugi Predict / Compounds / SCHEMBL193673

SCHEMBL193673

SCHEMBL193673

NC1CCc2c(F)ccc(F)c21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ IL1RN P18510 1/20 0.35
▸ ERAP2 Q6P179 1/20 0.35
▸ ERAP1 Q9NZ08 1/20 0.35
▸ CYP11B1 P15538 3/20 0.34
▸ CYP11B2 P19099 3/20 0.34
▸ EPAS1 Q99814 1/20 0.34
▸ ANPEP P15144 3/20 0.33
▸ AADAT Q8N5Z0 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL193672 1.00 DRD2 (0.43) DRD2DRD3IL1RNERAP2ERAP1
SCHEMBL20185074 0.84 IL1RN (0.50) DRD2DRD3IL1RNERAP2ERAP1
SCHEMBL16290564 0.84 DRD2 (0.35) DRD2DRD3IL1RNERAP2ERAP1
SCHEMBL16290376 0.84 DRD2 (0.39) DRD2DRD3IL1RNERAP2ERAP1
SCHEMBL16290480 0.84 DRD2 (0.39) DRD2DRD3IL1RNERAP2ERAP1
SCHEMBL18646271 0.81 DRD2 (0.33) DRD2DRD3IL1RNERAP2ERAP1
SCHEMBL18646270 0.80 DRD2 (0.42) DRD2DRD3EPAS1AADATHTR1A
SCHEMBL18518606 0.80 DRD2 (0.33) DRD2DRD3
SCHEMBL18428856 0.80 DRD2 (0.33) DRD2DRD3CYP11B1CYP11B2
SCHEMBL18482077 0.80 EPAS1 (0.37) DRD2DRD3EPAS1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190255052-A1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-08-22 — — US disclosed
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. 2017-05-18 — — US disclosed
EP-2865663-B1 NOVEL INDANESULFAMIDE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2017-04-05 — — EP disclosed
EP-2402334-B1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARM INC (US) 2016-06-29 — — EP disclosed
CN-104395285-B Indanesulfonamide derivatives Sanitary Material R&D Management Co.,Ltd. (JP) 2016-04-13 — — CN disclosed
EP-2865663-A1 NOVEL INDANESULFAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2015-04-29 — — EP disclosed
US-9018260-B2 Indanesulfamide derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-28 — — US disclosed
CN-104395285-A Novel indanesulfonamide derivatives EISAI R&D MAN CO LTD 2015-03-04 — — CN disclosed
US-20140371319-A1 NOVEL INDANESULFAMlDE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-12-18 — — US disclosed
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES MILLENNIUM PHARM INC (US) 2013-10-31 — — US disclosed
US-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-09-22 — — US disclosed
WO-2010058846-A1 4,6-DIAMINONICOTINAMIDE COMPOUND アステラス製薬株式会社 (JP) 2010-05-27 — — WO disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 — — US disclosed
EP-1501514-A4 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-08-26 — — EP disclosed
EP-1989206-A2 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-11-12 — — EP disclosed
US-20070191293-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 — — US disclosed
WO-2007092213-A2 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 — — WO disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 — — US disclosed
EP-1501514-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-02-02 — — EP disclosed
WO-2003093297-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2003-11-13 — — 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 (7 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-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND JAK3, JAK2, JAK1 DRD2 1167/4885DRD3 842/4885IL1RN 39/4885
US-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 DRD2 1533/4885DRD3 2166/4885IL1RN 1444/4885
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 DRD2 4856/4885DRD3 4844/4885IL1RN 459/4885
US-20190255052-A1 Inhibitors of E1 Activating Enzymes ECE1, RNASE1, RCE1 DRD2 4856/4885DRD3 4844/4885IL1RN 459/4885
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES RNASE1, ECE1, CES1 DRD2 4859/4885DRD3 4839/4885IL1RN 864/4885
US-20140371319-A1 NOVEL INDANESULFAMlDE DERIVATIVES SCN1A, SCN7A, SCN2A DRD2 793/4885DRD3 1255/4885IL1RN 506/4885
US-20070191293-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 DRD2 4856/4885DRD3 4844/4885IL1RN 459/4885

“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.