SCHEMBL17491485

SCHEMBL17491485

OC1CCN(c2nc(-c3cnco3)cc(C(F)(F)F)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 6/20 0.42
▸ MAPK1 P28482 5/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ IDH2 P48735 4/20 0.42
▸ MAPT P10636 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ METAP2 P50579 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ RAF1 P04049 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL17491550 0.83 NPSR1 (0.42) HPGDHSD17B10MAPK1IDH2NPSR1
SCHEMBL17491531 0.81 METAP2 (0.44) IDH2METAP2SLC6A3GABRA1RAF1
SCHEMBL17491500 0.77 PRKD1 (0.39) KMT2AKDM4EIDH2MAPTMETAP2
SCHEMBL17491532 0.73 RHOA (0.40) IDH2METAP2SLC6A3GABRA1
SCHEMBL17491538 0.73 RHOA (0.40) IDH2METAP2SLC6A3GABRA1
SCHEMBL17491466 0.73 RHOA (0.40) IDH2METAP2SLC6A3GABRA1
SCHEMBL17491416 0.68 RHOA (0.39) KMT2AIDH2MAPTMETAP2SLC6A3
SCHEMBL25990429 0.66 HSD17B10 (0.43) HPGDKMT2AHSD17B10MAPK1KDM4E
SCHEMBL17491517 0.66 DYRK1A (0.47) MAPTNPSR1CYP1A2CYP2C9
SCHEMBL25246123 0.65 HRH4 (0.43) IDH2METAP2RAF1BRAF

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 HPGD 226/4885KMT2A 366/4885HSD17B10 658/4885

“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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