Sugi Predict

Sugi Predict / Compounds / SCHEMBL5018752

SCHEMBL5018752

SCHEMBL5018752

CC(C)Cc1ccc(-n2cccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ DRD2 P14416 1/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ CHRNA7 P36544 1/20 0.46
▸ CHRNA10 Q9GZZ6 1/20 0.46
▸ CHRNA9 Q9UGM1 1/20 0.46
▸ BRS3 P32247 2/20 0.45
▸ CHRM1 P11229 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ CCNE1 P24864 4/20 0.42
▸ CDK2 P24941 4/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL14302480 0.83 KDM4E (0.46) NOTUMKDM4EALDH1A1MAPK1DRD2
SCHEMBL278321 0.82 LMNA (0.53) NOTUMDRD2DRD3POLBLMNA
SCHEMBL3086908 0.81 LMNA (0.45) NOTUMKDM4EALDH1A1MAPK1DRD2
SCHEMBL179123 0.80 NOTUM (0.58) NOTUMKDM4EALDH1A1MAPK1DRD2
SCHEMBL18856477 0.80 KDM4E (0.50) NOTUMKDM4EALDH1A1MAPK1DRD2
SCHEMBL2608891 0.80 NOTUM (0.46) NOTUMKDM4EALDH1A1MAPK1DRD2
SCHEMBL14438268 0.79 NOTUM (0.49) NOTUMKDM4EALDH1A1MAPK1DRD2
SCHEMBL15648532 0.79 KDM4E (0.49) NOTUMKDM4EALDH1A1MAPK1DRD2
SCHEMBL4341894 0.79 NOTUM (0.78) NOTUMKDM4EALDH1A1MAPK1DRD2
SCHEMBL14438342 0.78 NOTUM (0.47) NOTUMKDM4EALDH1A1MAPK1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018138-A1 PYRIDO[4,3-b]INDOLE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS VENTUS THERAPEUTICS U.S., INC. 2024-01-18 — — US disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 — — US disclosed
US-20210087147-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NodThera Limited (GB) 2021-03-25 — — US disclosed
EP-2942346-B1 PYRIDINECARBOXAMIDES AS CXCR2 MODULATORS SYNTRIX BIOSYSTEMS INC (US) 2020-05-06 — — EP disclosed
US-RE47415-E1 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-06-04 — — US disclosed
US-20170305893-A1 HETEROCYCLIC COMPOUNDS AS DCTPP1 MODULATORS THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-10-26 — — US disclosed
US-20170305893-A1 HETEROCYCLIC COMPOUNDS AS DCTPP1 MODULATORS THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-10-26 — — US disclosed
US-8981106-B2 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2015-03-17 — — US disclosed
US-20140206647-A1 PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS SYNTRIX BIOSYSTEMS, INC. (US) 2014-07-24 — — US disclosed
US-8748623-B2 Pyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2014-06-10 — — US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 — — US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 — — US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 — — US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 — — US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 — — US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 — — US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 — — US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 — — US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 — — US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 — — US 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-20170305893-A1 HETEROCYCLIC COMPOUNDS AS DCTPP1 MODULATORS DCTPP1, ENPP1, PPA1 NOTUM 3117/4885KDM4E 2700/4885ALDH1A1 676/4885
US-20140206647-A1 PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS CXCR2, CXCR1, CXCR3 NOTUM 4221/4885KDM4E 3625/4885ALDH1A1 2548/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 NOTUM 512/4885KDM4E 56/4885ALDH1A1 452/4885
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 NOTUM 2605/4885KDM4E 1864/4885ALDH1A1 1808/4885
US-20240018138-A1 PYRIDO[4,3-b]INDOLE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CGAS, LRRK2, ADSS2 NOTUM 3088/4885KDM4E 3876/4885ALDH1A1 1142/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 NOTUM 1113/4885KDM4E 1038/4885ALDH1A1 353/4885
US-20210087147-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, NOD1, NLRP1 NOTUM 4226/4885KDM4E 3974/4885ALDH1A1 961/4885

“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.