SCHEMBL15401822

SCHEMBL15401822

Nc1cnccc1C(=O)N1CCC(F)(F)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
KDM6B O15054 1/20 0.46
KDM4A O75164 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4D Q6B0I6 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDE10A Q9Y233 1/20 0.46
DPP4 P27487 7/20 0.43
DPP8 Q6V1X1 5/20 0.43
DPP9 Q86TI2 2/20 0.43
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
DPP7 Q9UHL4 5/20 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
SCHEMBL15402054 0.89 KDM4E (0.51) PIK3C3ALDH1A1KDM4EMEN1KDM6B
SCHEMBL15402398 0.85 ALDH1A1 (0.47) PIK3C3ALDH1A1KDM4EMEN1KDM6B
SCHEMBL24569276 0.82 PIK3C3 (0.44) PIK3C3PDE10ADPP4DPP8DPP9
SCHEMBL24568979 0.81 ALDH1A1 (0.47) PIK3C3ALDH1A1PDE10ADPP4DPP8
SCHEMBL15402417 0.78 ALDH1A1 (0.56) PIK3C3ALDH1A1KDM4EMEN1KDM6B
SCHEMBL7456642 0.78 ALDH1A1 (0.56) PIK3C3ALDH1A1KDM4EMEN1KDM6B
SCHEMBL3749424 0.77 KDM4E (0.40) PIK3C3ALDH1A1KDM4EMEN1KDM6B
SCHEMBL4237245 0.76 GABRD (0.50) ALDH1A1KDM4EMEN1KDM6BKDM4A
SCHEMBL15402335 0.74 KDM4E (0.47) PIK3C3ALDH1A1KDM4EMEN1KDM6B
SCHEMBL19372357 0.74 KDM4E (0.47) ALDH1A1KDM4EMEN1KDM6BKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2580207-B1 NITROGEN CONTAINING HETEROARYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-09-27 EP disclosed
US-8703768-B2 Nitrogen containing heteroaryl compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US disclosed
US-8623866-B2 2014-01-07 US disclosed
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 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-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS PDE10A, PDE3A, PDE2A PIK3C3 3328/4885ALDH1A1 271/4885KDM4E 2322/4885

“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.