SCHEMBL17491394

SCHEMBL17491394

CC(C)CC(=O)Nc1cc(-c2cnco2)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.49
▸ AAK1 Q2M2I8 10/20 0.45
▸ TACR1 P25103 1/20 0.44
▸ IMPDH2 P12268 2/20 0.41
▸ IMPDH1 P20839 2/20 0.41
▸ KDR P35968 2/20 0.40
▸ EGFR P00533 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RHOA P61586 1/20 0.40
▸ CIT O14578 1/20 0.39
▸ GAK O14976 1/20 0.39
▸ PRKX P51817 1/20 0.39
▸ PRKCQ Q04759 1/20 0.39
▸ HASPIN Q8TF76 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ BMP2K Q9NSY1 1/20 0.39

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
SCHEMBL17491527 0.85 LMNA (0.46) ALDH1A1AAK1IMPDH2IMPDH1KDR
SCHEMBL17491494 0.85 ALDH1A1 (0.46) ALDH1A1AAK1IMPDH2IMPDH1KDR
SCHEMBL17491488 0.85 EGFR (0.42) ALDH1A1AAK1TACR1IMPDH2IMPDH1
SCHEMBL17491518 0.85 AAK1 (0.46) AAK1IMPDH2IMPDH1KDREGFR
SCHEMBL17491395 0.84 SMN1; SMN2 (0.52) AAK1IMPDH2IMPDH1KDREGFR
SCHEMBL17491415 0.83 BRAF (0.47) ALDH1A1IMPDH2IMPDH1KDREGFR
SCHEMBL17506981 0.82 AAK1 (0.52) AAK1IMPDH2IMPDH1KDREGFR
SCHEMBL17491408 0.81 EGFR (0.43) ALDH1A1AAK1TACR1IMPDH2IMPDH1
SCHEMBL17491450 0.80 IMPDH2 (0.46) ALDH1A1AAK1IMPDH2KDREGFR
SCHEMBL17491508 0.79 RORA (0.43) ALDH1A1AAK1TACR1IMPDH2IMPDH1

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
EP-2982670-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-11-07 — — EP disclosed
US-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US disclosed
US-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US disclosed
US-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US disclosed
US-20160052897-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-25 — — US disclosed
EP-2982670-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — EP disclosed
EP-2982670-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — EP 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-20160052897-A1 HETEROCYCLIC COMPOUND PSEN1, PSEN2, BACE1 ALDH1A1 65/4885AAK1 4342/4885TACR1 1136/4885

“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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