SCHEMBL17491499

SCHEMBL17491499

O=C(Nc1cc(-c2cnco2)cc(C(F)(F)F)c1)c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 5/20 0.53
▸ P2RX4 Q99571 2/20 0.53
▸ P2RX7 Q99572 2/20 0.53
▸ TMPRSS4 Q9NRS4 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.52
▸ JUN P05412 2/20 0.48
▸ NFKB1 P19838 2/20 0.48
▸ NFKB2 Q00653 2/20 0.48
▸ RELA Q04206 2/20 0.48
▸ SMO Q99835 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ RORC P51449 1/20 0.46
▸ MAPT P10636 2/20 0.46

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 0.85 NPC1 (0.65) P2RX1RXFP1JUNNFKB1NFKB2
SCHEMBL17491482 0.84 CES1 (0.47) P2RX1JUNNFKB1NFKB2RELA
SCHEMBL17491467 0.83 KDM4E (0.66) P2RX1P2RX4P2RX7TMPRSS4RXFP1
SCHEMBL17491475 0.82 P2RX1 (0.51) P2RX1RXFP1JUNNFKB1NFKB2
SCHEMBL17491415 0.81 BRAF (0.47) ALDH1A1KDM4ENPC1RAB9AMAPK1
SCHEMBL19638027 0.80 P2RX1 (0.77) P2RX1P2RX4P2RX7TMPRSS4RXFP1
SCHEMBL29891420 0.80 P2RX1 (0.77) P2RX1P2RX4P2RX7TMPRSS4RXFP1
SCHEMBL17491404 0.80 MEN1 (0.61) P2RX1RXFP1ALDH1A1KDM4ENPC1
SCHEMBL17491537 0.79 TRPA1 (0.60) RXFP1JUNNFKB1NFKB2RELA
SCHEMBL17491412 0.79 P2RX1 (0.45) P2RX1P2RX4P2RX7TMPRSS4RXFP1

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 P2RX1 685/4885P2RX4 1012/4885P2RX7 827/4885

“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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