SCHEMBL17491445

SCHEMBL17491445

CC1(C(=O)Nc2cc(-c3cnco3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEK Q02763 2/20 0.42
▸ RHOA P61586 1/20 0.41
▸ IMPDH2 P12268 6/20 0.41
▸ IMPDH1 P20839 5/20 0.41
▸ KDR P35968 6/20 0.40
▸ EGFR P00533 4/20 0.40
▸ FGFR1 P11362 3/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ EPHB4 P54760 1/20 0.39
▸ MAPT P10636 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ JUN P05412 1/20 0.36
▸ NFKB1 P19838 1/20 0.36

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
SCHEMBL17491534 0.88 TEK (0.42) TEKRHOAIMPDH2IMPDH1KDR
SCHEMBL17491413 0.84 TEK (0.40) TEKRHOAIMPDH2IMPDH1KDR
SCHEMBL17491415 0.83 BRAF (0.47) RHOAIMPDH2IMPDH1KDREGFR
SCHEMBL17491483 0.83 RHOA (0.46) RHOAIMPDH2IMPDH1KDREGFR
SCHEMBL17491518 0.81 AAK1 (0.46) RHOAIMPDH2IMPDH1KDREGFR
SCHEMBL17491438 0.80 RHOA (0.55) RHOAKDREGFRFGFR1MAPT
SCHEMBL17491408 0.79 EGFR (0.43) RHOAIMPDH2IMPDH1KDREGFR
SCHEMBL17491514 0.79 RHOA (0.45) RHOAIMPDH2IMPDH1KDREGFR
SCHEMBL17491527 0.79 LMNA (0.46) RHOAIMPDH2IMPDH1KDREGFR
SCHEMBL17491494 0.79 ALDH1A1 (0.46) RHOAIMPDH2IMPDH1KDREGFR

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 TEK 4750/4885RHOA 2405/4885IMPDH2 1603/4885

“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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