SCHEMBL17491495

SCHEMBL17491495

O=C(Cn1ccnc1)Nc1cc(-c2cnco2)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ KDR P35968 4/20 0.39
▸ EGFR P00533 3/20 0.39
▸ FGFR1 P11362 3/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ RHOA P61586 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ IMPDH2 P12268 2/20 0.38
▸ IMPDH1 P20839 2/20 0.38
▸ THRB P10828 1/20 0.37
▸ PORCN Q9H237 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ AKR1B1 P15121 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
SCHEMBL17491503 0.83 LMNA (0.48) KDREGFRFGFR1RHOALMNA
SCHEMBL17491488 0.81 EGFR (0.42) KDREGFRFGFR1RHOALMNA
SCHEMBL17491527 0.79 LMNA (0.46) GSK3BKDREGFRFGFR1RHOA
SCHEMBL17491494 0.79 ALDH1A1 (0.46) KDREGFRFGFR1RHOALMNA
SCHEMBL17506981 0.78 AAK1 (0.52) GSK3BDYRK1AKDREGFRFGFR1
SCHEMBL17491395 0.78 SMN1; SMN2 (0.52) KDREGFRFGFR1RHOALMNA
SCHEMBL17491394 0.78 ALDH1A1 (0.49) KDREGFRFGFR1RHOALMNA
SCHEMBL17491415 0.77 BRAF (0.47) KDREGFRFGFR1RHOALMNA
SCHEMBL17491452 0.76 RHOA (0.39) KDREGFRFGFR1RHOAIMPDH2
SCHEMBL17491450 0.76 IMPDH2 (0.46) DYRK1AKDREGFRFGFR1LMNA

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 GSK3B 2149/4885DYRK1A 4878/4885KDR 4811/4885

“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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