Sugi Predict

Sugi Predict / Compounds / SCHEMBL410179

SCHEMBL410179

SCHEMBL410179

O=Cc1c(F)ccc(OCc2ccccc2)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MAPK14 Q16539 1/20 0.46
▸ MRGPRX4 Q96LA9 2/20 0.44
▸ EGFR P00533 1/20 0.44
▸ KDM1A O60341 2/20 0.44
▸ CCNB2 O95067 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CDK4 P11802 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CCND1 P24385 1/20 0.43
▸ CCNB3 Q8WWL7 1/20 0.43
▸ ERN1 O75460 1/20 0.43
▸ CHRM4 P08173 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ CLCN2 P51788 1/20 0.42
▸ PTGER1 P34995 2/20 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
SCHEMBL14829980 0.86 MAOB (0.51) MAPTMRGPRX4EGFRMAOAMAOB
SCHEMBL7311893 0.85 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL411745 0.85 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL3512612 0.82 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL2577590 0.80 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL2251133 0.80 DRD1 (0.37) MAPTL3MBTL1TACR2HPGDMEN1
SCHEMBL31562269 0.79 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL6907326 0.78 TACR2 (0.43) SMN1; SMN2MAPTL3MBTL1ERN1TACR2
SCHEMBL30296249 0.78 MAPT (0.49) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL23835195 0.78 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013049701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2013-04-04 — — WO claimed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 — — US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 — — US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 — — US disclosed
US-20170050938-A1 SUBSTITUTED QUINOXALINES AS B-RAF KINASE INHIBITORS NEUPHARMA, INC. 2017-02-23 — — US disclosed
EP-3088400-A1 PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON INC. (US) 2016-11-02 — — EP disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 — — US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 — — US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 — — US disclosed
EP-2395004-B1 Pyrrolo [2,3-b]pyridine derivatives as protein kinase inhibitors PLEXXIKON INC (US) 2016-01-20 — — EP disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 — — US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 — — US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 — — US disclosed
CN-101243084-A Pyrrolo [2, 3-B ] pyridine derivatives as protein kinase inhibitors PLEXXIKON INC (US) 2008-08-13 — — CN disclosed
WO-2008080015-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 — — WO disclosed
EP-1893612-A1 PYRROLO [2, 3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2008-03-05 — — EP disclosed
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 — — WO disclosed
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 — — WO disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 — — WO disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 — — 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 (4 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-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 NPC1 2367/4885RAB9A 1597/4885SMN1; SMN2 1839/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 NPC1 2367/4885RAB9A 1597/4885SMN1; SMN2 1839/4885
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 NPC1 2367/4885RAB9A 1597/4885SMN1; SMN2 1839/4885
US-20170050938-A1 SUBSTITUTED QUINOXALINES AS B-RAF KINASE INHIBITORS BRAF, RAF1, ARAF NPC1 4181/4885RAB9A 705/4885SMN1; SMN2 4535/4885

“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.