SCHEMBL17109180

SCHEMBL17109180

O=C(O)c1nc2c(F)c(Br)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 5/20 0.43
▸ PIN1 Q13526 2/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.39
▸ PTGER4 P35408 1/20 0.36
▸ GPR17 Q13304 1/20 0.36
▸ DHODH Q02127 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ RHEB Q15382 1/20 0.34
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL12271513 0.83 HRH4 (0.58) HRH4PIN1EGLN1DHODHRHEB
SCHEMBL18554546 0.81 RHEB (0.42) HRH4PIN1EGLN1KDM4EHPGD
SCHEMBL31748504 0.76 EGLN1 (0.44) HRH4PIN1EGLN1DHODHRHEB
SCHEMBL6988197 0.73 EGLN1 (0.53) PIN1EGLN1DHODHKDM4EHPGD
SCHEMBL17276058 0.73 MMP12 (0.44) PTGER4ALDH1A1
SCHEMBL9589931 0.69 PIN1 (0.47) HRH4PIN1EGLN1KDM4EALDH1A1
SCHEMBL30212541 0.69 KDM4E (0.49) PTGER4KDM4EHPGDALDH1A1NFKB1
SCHEMBL8952887 0.68 KDM4E (0.62) DHODHKDM4EHPGD
SCHEMBL7646 0.68 KDM4E (0.46) HRH4PIN1EGLN1DHODHKDM4E
SCHEMBL17092653 0.68 EGLN1 (0.55) HRH4PIN1EGLN1RHEB

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-3009424-B1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2017-12-20 — — EP disclosed
US-9428501-B2 Bicyclic nitrogen-containing aromatic heterocyclic amide compound ASTELLAS PHARMA INC. (JP) 2016-08-30 — — US disclosed
US-9428501-B2 Bicyclic nitrogen-containing aromatic heterocyclic amide compound ASTELLAS PHARMA INC. (JP) 2016-08-30 — — US disclosed
EP-3009424-A1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 — — EP disclosed
US-20150266869-A1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-09-24 — — US disclosed
US-20150266869-A1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-09-24 — — US 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-20150266869-A1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND PIK3CA, SLC16A3, MCTS1 HRH4 695/4885PIN1 2598/4885EGLN1 1892/4885

“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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