Sugi Predict

Sugi Predict / Compounds / SCHEMBL3822504

SCHEMBL3822504

SCHEMBL3822504

O=S(=O)(c1ccccc1)C(c1ccc(NCc2cncc(F)c2)nc1)c1c[nH]c2ncc(Cl)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.52
▸ CYP2C9 P11712 4/20 0.52
▸ CYP2C19 P33261 4/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ LCK P06239 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ KIT P10721 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ ADORA1 P30542 1/20 0.43

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
SCHEMBL3829508 0.82 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19CYP2D6LCK
SCHEMBL4512512 0.79 CYP2C9 (0.42) CYP3A4CYP2C9CYP2C19CYP2D6LCK
SCHEMBL1882955 0.78 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19CYP2D6LCK
SCHEMBL1266809 0.77 JAK2 (0.43) CYP3A4CYP2C9CYP2D6JAK2
SCHEMBL1267785 0.75 CYP3A4 (0.77) CYP3A4CYP2C9CYP2C19CYP2D6LCK
SCHEMBL3816576 0.74 MET (0.38) CYP3A4CYP2C19LCKPGRCSF1R
SCHEMBL1266923 0.74 RXFP1 (0.38) LCKCSF1RKITFLT1KDR
SCHEMBL3822508 0.70 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19CYP2D6LCK
SCHEMBL1885724 0.69 CYP3A4 (1.00) CYP3A4CYP2C9CYP2C19CYP2D6LCK
SCHEMBL2540264 0.68 JAK2 (0.37) ADORA1FLT3JAK2DYRK1ACDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247370-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC. 2017-08-31 — — US disclosed
US-9487515-B2 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC. (US) 2016-11-08 — — US disclosed
US-9169250-B2 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC. (US) 2015-10-27 — — US disclosed
US-20150265586-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR DAIICHI SANKYO, INC. 2015-09-24 — — US disclosed
US-20140243365-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR DAIICHI SANKYO, INC. 2014-08-28 — — US disclosed
US-8722702-B2 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC. (US) 2014-05-13 — — US disclosed
EP-2086972-B1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC (US) 2013-11-20 — — EP disclosed
US-20130178473-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC. (US) 2013-07-11 — — US disclosed
US-8461169-B2 Compounds modulating c-fms and/or c-kit activity PLEXXIKON INC. (US) 2013-06-11 — — US disclosed
US-8404700-B2 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC. (US) 2013-03-26 — — US disclosed
US-20120309756-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC 2012-12-06 — — US disclosed
EP-2086972-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2009-08-12 — — EP disclosed
US-20090076046-A1 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC 2009-03-19 — — US disclosed
WO-2008064255-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 — — WO disclosed
WO-2008063888-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 — — 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 (6 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-20140243365-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 CYP3A4 3847/4885CYP2C9 4122/4885CYP2C19 3327/4885
US-20170247370-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 CYP3A4 3847/4885CYP2C9 4122/4885CYP2C19 3327/4885
US-20090076046-A1 Compounds modulating c-fms and/or c-kit activity and uses therefor KIT, FLT3, FLT1 CYP3A4 3847/4885CYP2C9 4122/4885CYP2C19 3327/4885
US-20120309756-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 CYP3A4 3847/4885CYP2C9 4122/4885CYP2C19 3327/4885
US-20130178473-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 CYP3A4 3847/4885CYP2C9 4122/4885CYP2C19 3327/4885
US-20150265586-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 CYP3A4 3847/4885CYP2C9 4122/4885CYP2C19 3327/4885

“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.