SCHEMBL17428034

SCHEMBL17428034

N=C(/C=C(\N)c1ccccn1)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.55
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ NAPRT Q6XQN6 1/20 0.38
▸ P4HTM Q9NXG6 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ CTNNB1 P35222 1/20 0.35
▸ WNT3A P56704 1/20 0.35

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
SCHEMBL16642031 0.84 MAPK1 (0.68) MAPK1CES2CES1ALDH1A1KMT2A
SCHEMBL17053321 0.77 PLAU (0.37) MAPK1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL26218243 0.77 MAPK1 (0.38) MAPK1CES2CES1ALDH1A1KMT2A
SCHEMBL17429376 0.75 ALDH1A1 (0.33) MAPK1ALDH1A1
SCHEMBL28996723 0.74 MAPK1 (0.68) MAPK1CES2CES1ALDH1A1KMT2A
SCHEMBL29078777 0.74 MAPK1 (0.58) MAPK1CES2CES1ALDH1A1KMT2A
SCHEMBL5201027 0.73 MAPK1 (0.66) MAPK1CES2CES1ALDH1A1KMT2A
SCHEMBL14630072 0.73 MAPK1 (0.66) MAPK1CES2CES1ALDH1A1KMT2A
SCHEMBL14630074 0.73 MAPK1 (0.66) MAPK1CES2CES1ALDH1A1KMT2A
SCHEMBL21120783 0.72 MAPK1 (0.42) MAPK1CES2CES1ALDH1A1KMT2A

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-9953768-B2 Metal-complex dye, photoelectric conversion element, dye-sensitized solar cell, and dye solution containing metal-complex dye FUJIFILM CORPORATION (JP) 2018-04-24 — — US disclosed
US-9953768-B2 Metal-complex dye, photoelectric conversion element, dye-sensitized solar cell, and dye solution containing metal-complex dye FUJIFILM CORPORATION (JP) 2018-04-24 — — US disclosed
EP-2980816-A1 METAL-COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, AND DYE SOLUTION CONTAINING METAL-COMPLEX DYE FUJIFILM Corporation (JP) 2016-02-03 — — EP disclosed
US-20160012977-A1 METAL-COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, AND DYE SOLUTION CONTAINING METAL-COMPLEX DYE FUJIFILM CORPORATION (JP) 2016-01-14 — — US disclosed
US-20160012977-A1 METAL-COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, AND DYE SOLUTION CONTAINING METAL-COMPLEX DYE FUJIFILM CORPORATION (JP) 2016-01-14 — — 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 (1 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-20160012977-A1 METAL-COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, AND DYE SOLUTION CONTAINING METAL-COMPLEX DYE KCNN1, KCNN2, KCNN3 MAPK1 1545/4885CES2 434/4885CES1 1169/4885

“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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