SCHEMBL17491404

SCHEMBL17491404

O=C(Nc1cc(-c2cnco2)cc(C(F)(F)F)c1)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ TRPA1 O75762 1/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.53
▸ LMNA P02545 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KDR P35968 3/20 0.52
▸ EGFR P00533 2/20 0.52
▸ FGFR1 P11362 2/20 0.52
▸ CSF1R P07333 2/20 0.51
▸ BRAF P15056 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ P2RX1 P51575 2/20 0.49
▸ HIF1A Q16665 1/20 0.48
▸ EPHX2 P34913 2/20 0.47

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
SCHEMBL17491420 0.90 NPC1 (0.65) MEN1TSHRKMT2ATRPA1RXFP1
SCHEMBL17491475 0.85 P2RX1 (0.51) MEN1TSHRKMT2ARXFP1LMNA
SCHEMBL17491467 0.84 KDM4E (0.66) MEN1KMT2ATRPA1RXFP1LMNA
SCHEMBL17491482 0.83 CES1 (0.47) LMNAKDM4ENPC1ALDH1A1PKM
SCHEMBL17491447 0.81 IMPDH2 (0.51) MEN1KMT2ARXFP1LMNAKDM4E
SCHEMBL22983284 0.81 NPC1 (0.78) MEN1KMT2ALMNAKDM4ENPC1
SCHEMBL17491512 0.80 TSHR (0.47) MEN1TSHRKMT2ATRPA1LMNA
SCHEMBL17491537 0.80 TRPA1 (0.60) MEN1KMT2ATRPA1RXFP1LMNA
SCHEMBL17491499 0.80 P2RX1 (0.53) MEN1KMT2ARXFP1LMNAKDM4E
SCHEMBL6054935 0.79 MEN1 (0.73) MEN1TSHRKMT2ATRPA1RXFP1

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 MEN1 125/4885TSHR 3983/4885KMT2A 366/4885

“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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