SCHEMBL1696943

SCHEMBL1696943

CCOC(=O)c1cnc(Cn2nnc(C(F)(F)F)n2)nc1-c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOS P01100 4/20 0.42
▸ JUN P05412 4/20 0.42
▸ NFKB1 P19838 4/20 0.42
▸ NFKB2 Q00653 4/20 0.42
▸ RELA Q04206 4/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ATM Q13315 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ DBF4 Q9UBU7 1/20 0.40
▸ HPGD P15428 3/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL1696960 0.87 EPAS1 (0.38) SMN1; SMN2RAB9AHPGDNPC1
SCHEMBL16503738 0.79 EPAS1 (0.44) JUNNFKB1NFKB2RELA
SCHEMBL16503748 0.79 EPAS1 (0.41) ALDH1A1LMNAKMT2ATSHR
SCHEMBL16503753 0.78 EPAS1 (0.41) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL1696981 0.77 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1ATMSMN1; SMN2
SCHEMBL16503763 0.76 EPAS1 (0.37) ALDH1A1LMNAKMT2A
SCHEMBL16503751 0.75 EPAS1 (0.38) —
SCHEMBL16503752 0.75 SLC2A1 (0.41) —
SCHEMBL16503749 0.74 EPAS1 (0.37) RAB9AHPGDNPC1
SCHEMBL2733287 0.74 ALDH1A1 (0.55) NFKB1NFKB2RELAALDH1A1MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582691-B1 ANTHRANILIC ACID DERIVATIVES BAYER IP GMBH (DE) 2017-05-10 — — EP disclosed
EP-2533641-B1 HYDRAZINE-SUBSTITUTED ANTHRANILIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2016-07-13 — — EP disclosed
US-8980886-B2 Anthranilic acid derivatives BAYER CROPSCIENCE AG (DE) 2015-03-17 — — US disclosed
EP-2582691-A1 ANTHRANILIC ACID DERIVATIVES Bayer Intellectual Property GmbH (DE) 2013-04-24 — — EP disclosed
US-8410106-B2 Hydrazine-substituted anthranilic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-04-02 — — US disclosed
EP-2533641-A2 HYDRAZINE-SUBSTITUTED ANTHRANILIC ACID DERIVATIVES Bayer CropScience AG (DE) 2012-12-19 — — EP disclosed
WO-2011157653-A1 ANTHRANILIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-12-22 — — WO disclosed
US-20110312953-A1 ANTHRANILIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-12-22 — — US disclosed
US-20110257191-A1 Hydrazine-Substituted Anthranilic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-10-20 — — US disclosed
WO-2011098408-A2 HYDRAZINE-SUBSTITUTED ANTHRANILIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-08-18 — — WO 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 (2 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-20110257191-A1 Hydrazine-Substituted Anthranilic Acid Derivatives ANTXR2, ACLY, H1-5 FOS 4094/4885JUN 3875/4885NFKB1 1038/4885
US-20110312953-A1 ANTHRANILIC ACID DERIVATIVES ANTXR2, NQO2, ACLY FOS 3784/4885JUN 4525/4885NFKB1 351/4885

“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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