SCHEMBL2822751

SCHEMBL2822751

COc1ccc(Nc2cncc(-c3cccc(NS(C)(=O)=O)c3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 3/20 0.56
PIP4K2B P78356 3/20 0.56
XDH P47989 1/20 0.55
SLC22A12 Q96S37 1/20 0.55
PTGS1 P23219 2/20 0.50
PIK3CB P42338 2/20 0.50
PTGS2 P35354 1/20 0.50
FYN P06241 2/20 0.49
TGFBR1 P36897 1/20 0.49
ACVR1 Q04771 1/20 0.49
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
BRAF P15056 2/20 0.48
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2D6 P10635 3/20 0.48
CLK4 Q9HAZ1 3/20 0.48
ALPL P05186 3/20 0.48
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47

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
SCHEMBL2819723 0.88 XDH (0.53) PIP4K2APIP4K2BXDHSLC22A12PIK3CB
SCHEMBL4196597 0.87 CYP1A2 (0.60) PIP4K2APIP4K2BXDHSLC22A12PTGS1
SCHEMBL4200935 0.85 PIP4K2A (0.58) PIP4K2APIP4K2BXDHSLC22A12PTGS1
SCHEMBL4187496 0.84 FYN (0.69) PIP4K2APIP4K2BFYNTGFBR1ACVR1
SCHEMBL4191762 0.83 PIP4K2A (0.59) PIP4K2APIP4K2BPIK3CBCYP1A2CYP3A4
SCHEMBL4194464 0.82 PIP4K2A (0.55) PIP4K2APIP4K2BSLC22A12PIK3CBCYP1A2
SCHEMBL4198997 0.81 BRAF (0.72) PIP4K2APIP4K2BXDHSLC22A12FYN
SCHEMBL4196450 0.81 PIP4K2A (0.58) PIP4K2APIP4K2BXDHSLC22A12PTGS1
SCHEMBL2821275 0.80 XDH (0.56) XDHSLC22A12PIK3CBFYNBRAF
SCHEMBL4143146 0.80 XDH (0.62) XDHSLC22A12FYNBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090196912-A1 Pyridinylamines GPC BOTECH AG (DE) 2009-08-06 US claimed
EP-1789393-A2 PYRIDINYLAMINES GPC Biotech AG (DE) 2007-05-30 EP claimed
WO-2006010637-A2 PYRIDINYLAMINES GPC BIOTECH AG (DE) 2006-02-02 WO claimed
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2020-07-02 US disclosed
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo BROWN DENNIS M (US) 2019-08-20 US disclosed
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2016-08-25 US disclosed
US-8288421-B2 neoplastic disease, autoimmune disease, transplantation related pathology and/or degenerative disease; selectively inducing apoptosis in cancer cells BASILEA PHARMACEUTICA AG (CH) 2012-10-16 US disclosed
EP-1789044-B1 PHENYLAMINOPYRIDINES AND PHENYLAMINOPYRAZINES BASILEA PHARMACEUTICA AG (CH) 2010-10-27 EP disclosed
US-20090196912-A1 Pyridinylamines GPC BOTECH AG (DE) 2009-08-06 US disclosed
US-20080221171-A1 Phenylaminopyridines BASILEA PHARMACEUTICA AG (CH) 2008-09-11 US disclosed
EP-1789393-A2 PYRIDINYLAMINES GPC Biotech AG (DE) 2007-05-30 EP disclosed
EP-1789044-A1 PHENYLAMINOPYRIDINES Basilea Pharmaceutica AG (CH) 2007-05-30 EP disclosed
WO-2006027348-A1 PHENYLAMINOPYRIDINES BASILEA PHARMACEUTICA AG (CH) 2006-03-16 WO disclosed
WO-2006010637-A2 PYRIDINYLAMINES GPC BIOTECH AG (DE) 2006-02-02 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 (5 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-20080221171-A1 Phenylaminopyridines P2RY11, BCL9, TPMT PIP4K2A 1960/4885PIP4K2B 2048/4885XDH 600/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 PIP4K2A 748/4885PIP4K2B 633/4885XDH 1630/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 PIP4K2A 748/4885PIP4K2B 633/4885XDH 1630/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 PIP4K2A 748/4885PIP4K2B 633/4885XDH 1630/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA PIP4K2A 1599/4885PIP4K2B 1968/4885XDH 527/4885

“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.