SCHEMBL4187626

SCHEMBL4187626

OCc1cccc(-c2cncc(Nc3ccc(OC(F)(F)F)cc3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.47
BRAF P15056 1/20 0.47
OPRM1 P35372 1/20 0.47
KCNH2 Q12809 1/20 0.47
PRMT6 Q96LA8 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PRKCI P41743 1/20 0.41
BCR P11274 1/20 0.41
HTR2C P28335 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL4190376 0.85 ABL1 (0.50) ABL1BRAFOPRM1KCNH2BCR
SCHEMBL4199333 0.81 XDH (0.53) BRAFPRKCI
SCHEMBL4191653 0.81 XDH (0.53) KCNH2PRKCI
SCHEMBL4183190 0.80 BRAF (0.71) ABL1BRAFOPRM1KCNH2NPC1
SCHEMBL4192006 0.79 SIRT2 (0.50) ABL1CYP11B1CYP11B2PRKCI
SCHEMBL4196393 0.78 CYP11B1 (0.47) CYP11B1CYP11B2PRKCI
SCHEMBL4194111 0.78 XDH (0.47) ABL1BRAFOPRM1KCNH2CYP11B1
SCHEMBL4592299 0.76 PRMT6 (0.61) ABL1OPRM1KCNH2PRMT6CYP11B1
SCHEMBL4194356 0.76 TDP2 (0.58) BRAFCYP11B1CYP11B2PRKCI
SCHEMBL4196858 0.76 XDH (0.50) ABL1BRAFOPRM1KCNH2CYP11B1

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 ABL1 1085/4885BRAF 3225/4885OPRM1 2808/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ABL1 1085/4885BRAF 3225/4885OPRM1 2808/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ABL1 1085/4885BRAF 3225/4885OPRM1 2808/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA ABL1 2775/4885BRAF 1471/4885OPRM1 3182/4885

“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.