SCHEMBL17491403

SCHEMBL17491403

O=C(Nc1cc(-c2cnco2)cc(C(F)(F)F)c1)C1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 3/20 0.58
▸ DYRK1A Q13627 8/20 0.47
▸ GSK3B P49841 5/20 0.47
▸ WNT1 P04628 4/20 0.47
▸ CLK2 P49760 2/20 0.43
▸ ADORA2A P29274 2/20 0.41
▸ ADORA2B P29275 2/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ RHOC P08134 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL17491506 0.99 RHOA (0.60) RHOADYRK1AGSK3BWNT1CLK2
SCHEMBL17491529 0.98 RHOA (0.58) RHOADYRK1AGSK3BWNT1CLK2
SCHEMBL17491438 0.95 RHOA (0.55) RHOADYRK1AGSK3BWNT1CLK2
SCHEMBL17491522 0.92 DYRK1A (0.53) RHOADYRK1AGSK3BWNT1CLK2
SCHEMBL17491442 0.89 RHOA (0.51) RHOADYRK1AGSK3BWNT1CLK2
SCHEMBL17491474 0.87 RHOA (0.50) RHOADYRK1AGSK3BWNT1CLK2
SCHEMBL17491483 0.83 RHOA (0.46) RHOADYRK1AGSK3BWNT1CLK2
SCHEMBL17506981 0.82 AAK1 (0.52) RHOADYRK1AGSK3BWNT1CLK2
SCHEMBL17491399 0.81 RHOA (0.47) RHOADYRK1AGSK3BWNT1MEN1
SCHEMBL17491415 0.81 BRAF (0.47) RHOALMNAMEN1KMT2A

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 RHOA 2405/4885DYRK1A 4878/4885GSK3B 2149/4885

“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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