SCHEMBL17491415

SCHEMBL17491415

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.47
▸ IMPDH2 P12268 6/20 0.45
▸ IMPDH1 P20839 5/20 0.45
▸ KDR P35968 5/20 0.44
▸ FGFR1 P11362 4/20 0.44
▸ EGFR P00533 4/20 0.44
▸ NR2E1 Q9Y466 1/20 0.44
▸ RHOA P61586 1/20 0.43
▸ MAPT P10636 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 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
SCHEMBL17491518 0.86 AAK1 (0.46) IMPDH2IMPDH1KDRFGFR1EGFR
SCHEMBL17491408 0.85 EGFR (0.43) IMPDH2IMPDH1KDRFGFR1EGFR
SCHEMBL17491494 0.84 ALDH1A1 (0.46) IMPDH2IMPDH1KDRFGFR1EGFR
SCHEMBL17491527 0.84 LMNA (0.46) IMPDH2IMPDH1KDRFGFR1EGFR
SCHEMBL17491488 0.84 EGFR (0.42) IMPDH2IMPDH1KDRFGFR1EGFR
SCHEMBL17491395 0.83 SMN1; SMN2 (0.52) IMPDH2IMPDH1KDRFGFR1EGFR
SCHEMBL17491394 0.83 ALDH1A1 (0.49) IMPDH2IMPDH1KDRFGFR1EGFR
SCHEMBL17491445 0.83 TEK (0.42) IMPDH2IMPDH1KDRFGFR1EGFR
SCHEMBL17491438 0.83 RHOA (0.55) BRAFKDRFGFR1EGFRRHOA
SCHEMBL17491420 0.82 NPC1 (0.65) IMPDH2NR2E1RHOAMAPTKDM4E

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 BRAF 1683/4885IMPDH2 1603/4885IMPDH1 1155/4885

“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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