SCHEMBL4182142

SCHEMBL4182142

CN(C)CCNC(=O)c1ccc(-c2cncc(Nc3ccc(F)c(Cl)c3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.54
SLC22A12 Q96S37 3/20 0.54
ABL1 P00519 3/20 0.53
BCR P11274 3/20 0.53
KDR P35968 1/20 0.49
TDP2 O95551 1/20 0.49
BRAF P15056 1/20 0.49
MAPK8 P45983 1/20 0.48
MAPK10 P53779 1/20 0.48
MAPK14 Q16539 1/20 0.48
CDC7 O00311 1/20 0.46
CDK19 Q9BWU1 1/20 0.46
CSNK2A1 P68400 2/20 0.44
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCNT1 O60563 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 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
SCHEMBL4189128 0.89 BRAF (0.55) XDHSLC22A12ABL1BCRKDR
SCHEMBL4190056 0.82 ALOX5 (0.55) ABL1BCRKDRBRAFMAPK8
SCHEMBL4199241 0.78 KDR (0.55) XDHSLC22A12ABL1BCRKDR
SCHEMBL4189356 0.77 KDR (0.48) ABL1BCRKDRBRAFCDC7
SCHEMBL4992158 0.77 KDR (0.71) ABL1BCRKDRBRAFMAPK8
SCHEMBL4191826 0.77 TDP2 (0.61) XDHSLC22A12TDP2HPGD
SCHEMBL4185259 0.75 XDH (0.67) XDHSLC22A12TDP2HPGDKMT2A
SCHEMBL4185419 0.74 TDP2 (0.61) XDHSLC22A12TDP2KMT2A
SCHEMBL12191059 0.74 SCN10A (0.56) ABL1BCRKDRBRAFSMN1; SMN2
SCHEMBL4152462 0.73 KDR (0.51) ABL1BCRKDRMAPK8MAPK10

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 7 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-20090196912-A1 Pyridinylamines GPC BOTECH AG (DE) 2009-08-06 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 (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-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 XDH 1630/4885SLC22A12 3973/4885ABL1 1085/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 XDH 1630/4885SLC22A12 3973/4885ABL1 1085/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 XDH 1630/4885SLC22A12 3973/4885ABL1 1085/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA XDH 527/4885SLC22A12 2928/4885ABL1 2775/4885

“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.