SCHEMBL17491408

SCHEMBL17491408

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.43
▸ KDR P35968 3/20 0.43
▸ FGFR1 P11362 2/20 0.43
▸ RHOA P61586 1/20 0.42
▸ AAK1 Q2M2I8 10/20 0.41
▸ IMPDH2 P12268 2/20 0.41
▸ IMPDH1 P20839 2/20 0.41
▸ TACR1 P25103 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
▸ KDM4E B2RXH2 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ ALDH1A1 P00352 2/20 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
SCHEMBL17491518 0.89 AAK1 (0.46) EGFRKDRFGFR1RHOAAAK1
SCHEMBL17491415 0.85 BRAF (0.47) EGFRKDRFGFR1RHOAIMPDH2
SCHEMBL17491488 0.84 EGFR (0.42) EGFRKDRFGFR1RHOAAAK1
SCHEMBL17491394 0.81 ALDH1A1 (0.49) EGFRKDRFGFR1RHOAAAK1
SCHEMBL17491438 0.81 RHOA (0.55) EGFRKDRFGFR1RHOA
SCHEMBL17491420 0.80 NPC1 (0.65) RHOAIMPDH2KDM4ENPC1ALDH1A1
SCHEMBL17491527 0.80 LMNA (0.46) EGFRKDRFGFR1RHOAAAK1
SCHEMBL17491534 0.80 TEK (0.42) EGFRKDRFGFR1RHOAIMPDH2
SCHEMBL17491494 0.80 ALDH1A1 (0.46) EGFRKDRFGFR1RHOAAAK1
SCHEMBL17491395 0.79 SMN1; SMN2 (0.52) EGFRKDRFGFR1RHOAAAK1

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 6 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

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 EGFR 4863/4885KDR 4811/4885FGFR1 1898/4885

“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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