SCHEMBL17491413

SCHEMBL17491413

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEK Q02763 2/20 0.40
▸ RHOA P61586 1/20 0.40
▸ AAK1 Q2M2I8 1/20 0.39
▸ KDR P35968 4/20 0.38
▸ EGFR P00533 3/20 0.38
▸ FGFR1 P11362 2/20 0.38
▸ EPHB4 P54760 1/20 0.37
▸ IMPDH2 P12268 2/20 0.37
▸ IMPDH1 P20839 2/20 0.37
▸ EGLN2 Q96KS0 1/20 0.36
▸ IKBKB O14920 1/20 0.35
▸ IKBKE Q14164 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ RAPGEF3 O95398 1/20 0.35

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 0.85 TEK (0.42) TEKRHOAKDREGFRFGFR1
SCHEMBL17491445 0.84 TEK (0.42) TEKRHOAKDREGFRFGFR1
SCHEMBL17491415 0.79 BRAF (0.47) RHOAKDREGFRFGFR1IMPDH2
SCHEMBL17491438 0.77 RHOA (0.55) RHOAKDREGFRFGFR1MAPT
SCHEMBL17491408 0.77 EGFR (0.43) RHOAAAK1KDREGFRFGFR1
SCHEMBL17491514 0.77 RHOA (0.45) RHOAKDREGFRFGFR1IMPDH2
SCHEMBL17491483 0.76 RHOA (0.46) RHOAAAK1KDREGFRFGFR1
SCHEMBL17491474 0.76 RHOA (0.50) TEKRHOAKDREGFRFGFR1
SCHEMBL17491488 0.76 EGFR (0.42) RHOAAAK1KDREGFRFGFR1
SCHEMBL17491518 0.76 AAK1 (0.46) RHOAAAK1KDREGFRFGFR1

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 2405/4885AAK1 4342/4885

“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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