SCHEMBL4189391

SCHEMBL4189391

CC(=O)Nc1cccc(-c2cncc(N)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 3/20 0.62
PIP4K2B P78356 2/20 0.62
FYN P06241 5/20 0.58
BRAF P15056 3/20 0.58
ALDH1A1 P00352 1/20 0.58
USP7 Q93009 1/20 0.57
CHEK2 O96017 1/20 0.55
CYP11B2 P19099 2/20 0.53
CYP17A1 P05093 1/20 0.53
CYP11B1 P15538 1/20 0.53
MAP4K4 O95819 1/20 0.53
CHEK1 O14757 1/20 0.51
FGFR1 P11362 1/20 0.51
NEK2 P51955 1/20 0.51
MAPK15 Q8TD08 1/20 0.51
KDM1A O60341 1/20 0.50
NTRK1 P04629 1/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
STAT1 P42224 1/20 0.50

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
SCHEMBL6798003 0.85 ALDH1A1 (0.80) FYNALDH1A1USP7CHEK2CYP11B2
SCHEMBL2646435 0.82 CNR1 (0.63) PIP4K2APIP4K2BFYNBRAFALDH1A1
SCHEMBL4191864 0.82 BRAF (0.70) PIP4K2APIP4K2BFYNBRAFCYP11B2
SCHEMBL11222723 0.81 CNR1 (0.64) PIP4K2APIP4K2BFYNBRAFALDH1A1
SCHEMBL4654909 0.80 ALDH1A1 (0.67) PIP4K2APIP4K2BFYNALDH1A1USP7
SCHEMBL7705979 0.78 ALDH1A1 (0.58) FYNALDH1A1USP7CYP11B2CYP17A1
SCHEMBL4194092 0.78 BRAF (0.65) PIP4K2APIP4K2BFYNBRAF
SCHEMBL4191746 0.78 BRAF (0.68) PIP4K2APIP4K2BFYNBRAF
SCHEMBL14217675 0.78 PIP4K2A (0.56) PIP4K2APIP4K2BFYNBRAFCHEK2
SCHEMBL4193284 0.78 BRAF (0.59) PIP4K2APIP4K2BFYNBRAFALDH1A1

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 9 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
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 (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 PIP4K2A 748/4885PIP4K2B 633/4885FYN 3292/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 PIP4K2A 748/4885PIP4K2B 633/4885FYN 3292/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 PIP4K2A 748/4885PIP4K2B 633/4885FYN 3292/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA PIP4K2A 1599/4885PIP4K2B 1968/4885FYN 173/4885

“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.