SCHEMBL4196858

SCHEMBL4196858

COc1cncc(-c2cncc(Nc3ccc(OC(F)(F)F)cc3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.50
SLC22A12 Q96S37 1/20 0.50
CHRNA7 P36544 5/20 0.48
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
ABL1 P00519 6/20 0.46
BRAF P15056 1/20 0.44
KCNH2 Q12809 3/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
OPRM1 P35372 1/20 0.44
ALPL P05186 2/20 0.44

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
SCHEMBL4191925 0.87 XDH (0.61) XDHSLC22A12CYP11B1CYP11B2CYP1A2
SCHEMBL4195748 0.81 KCNH2 (0.52) XDHSLC22A12CYP11B1CYP11B2CYP1A2
SCHEMBL4190376 0.79 ABL1 (0.50) XDHSLC22A12ABL1BRAFKCNH2
SCHEMBL9073469 0.78 MAPT (0.68) CHRNA7
SCHEMBL4185063 0.77 ALPL (0.52) XDHSLC22A12CYP11B1CYP11B2CYP1A2
SCHEMBL4183190 0.77 BRAF (0.71) CHRNA7ABL1BRAFKCNH2SCN10A
SCHEMBL4194111 0.76 XDH (0.47) XDHSLC22A12CHRNA7CYP11B1CYP11B2
SCHEMBL4187626 0.76 ABL1 (0.47) CYP11B1CYP11B2ABL1BRAFKCNH2
SCHEMBL4189069 0.75 TDP2 (0.62) XDHSLC22A12CYP11B1CYP11B2CYP1A2
SCHEMBL3194551 0.72 MAPT (0.61) CHRNA7CYP3A4ABL1KCNH2SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090196912-A1 Pyridinylamines GPC BOTECH AG (DE) 2009-08-06 US 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 3973/4885CHRNA7 836/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 XDH 1630/4885SLC22A12 3973/4885CHRNA7 836/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 XDH 1630/4885SLC22A12 3973/4885CHRNA7 836/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA XDH 527/4885SLC22A12 2928/4885CHRNA7 128/4885

“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.