SCHEMBL4160102

SCHEMBL4160102

c1ccc2cc(CNc3cncc(-c4ccncc4)c3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.45
IGF1R P08069 1/20 0.45
FFAR1 O14842 1/20 0.44
FYN P06241 1/20 0.42
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
GALR3 O60755 1/20 0.40
LMNA P02545 1/20 0.40
STAT3 P40763 1/20 0.40
KDR P35968 1/20 0.40
KCNH2 Q12809 1/20 0.40
AKT1 P31749 1/20 0.40
PDGFRB P09619 1/20 0.40

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
SCHEMBL4143226 0.88 INSR (0.46) INSRIGF1RFFAR1FYNKDR
SCHEMBL4149226 0.87 INSR (0.49) INSRIGF1RFFAR1FYNLMNA
SCHEMBL4930158 0.85 NPC1 (0.52) FYNPOLBMAPK10KDRPDGFRB
SCHEMBL4928579 0.85 HDAC6 (0.46) FYNCYP3A4KCNH2PDGFRBPDGFRA
SCHEMBL4932096 0.84 KCNH2 (0.53) FYNKDRKCNH2AKT1F2
SCHEMBL4154792 0.83 CYP11B1 (0.50) FYNCYP1A2CYP3A4CYP2C9KCNH2
SCHEMBL4199325 0.82 FYN (0.64) INSRIGF1RFFAR1FYNCYP1A2
SCHEMBL18743147 0.81 WNT3A (0.54) WNT3A
SCHEMBL4928890 0.80 DYRK1A (0.52) FYNCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4149001 0.80 MEN1 (0.48) FYNKDRKCNH2ROCK2

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 10 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
US-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 US disclosed
EP-1789393-A2 PYRIDINYLAMINES GPC Biotech AG (DE) 2007-05-30 EP 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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes ROCK1, ROCK2, CIT INSR 2295/4885IGF1R 2589/4885FFAR1 3371/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 INSR 2463/4885IGF1R 4062/4885FFAR1 4814/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 INSR 2463/4885IGF1R 4062/4885FFAR1 4814/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 INSR 2463/4885IGF1R 4062/4885FFAR1 4814/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA INSR 2280/4885IGF1R 3260/4885FFAR1 4385/4885

“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.