SCHEMBL4191452

SCHEMBL4191452

Oc1cccc(CNc2cncc(-c3cccc(OC(F)(F)F)c3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.55
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ KDM5A P29375 1/20 0.47
▸ KDM4C Q9H3R0 1/20 0.47
▸ KDM5B Q9UGL1 1/20 0.47
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ ROCK1 Q13464 2/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ PIM1 P11309 4/20 0.42
▸ P2RX7 Q99572 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ PKM P14618 2/20 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
SCHEMBL4147515 0.88 ROCK1 (0.51) FYNCYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL4188983 0.85 FYN (0.58) FYNCYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL4160677 0.85 FYN (0.73) FYNCYP3A4CYP2C9CYP1A2ROCK1
SCHEMBL4149774 0.83 ROCK2 (0.58) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL4146617 0.81 FYN (0.64) FYNCYP3A4CYP1A2KDM4CROCK1
SCHEMBL4192010 0.81 FYN (0.61) FYNCYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL4154773 0.81 FYN (0.55) FYNCYP3A4CYP2C19CYP1A2CYP2D6
SCHEMBL4185311 0.80 FYN (0.63) FYNCYP3A4CYP1A2KDM4CMAPT
SCHEMBL4155633 0.79 FYN (0.62) FYNCYP3A4CYP1A2MEN1ALDH1A1
SCHEMBL4199084 0.79 FYN (0.61) FYNCYP3A4CYP2C9CYP2C19CYP1A2

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
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 FYN 3292/4885CYP3A4 257/4885CYP2C9 147/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 FYN 3292/4885CYP3A4 257/4885CYP2C9 147/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 FYN 3292/4885CYP3A4 257/4885CYP2C9 147/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA FYN 173/4885CYP3A4 328/4885CYP2C9 441/4885

“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.

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