SCHEMBL17896023

SCHEMBL17896023

CCSc1cc(C(F)(F)F)cnc1-c1nc2cc(Br)ncc2n1C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ AGBL2 Q5U5Z8 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ STAT3 P40763 1/20 0.30
▸ STAT1 P42224 1/20 0.30
▸ CASP3 P42574 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SENP8 Q96LD8 1/20 0.30
▸ SENP7 Q9BQF6 1/20 0.30
▸ SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL19755915 0.88 POLB (0.37) POLBAGBL2ALDH1A1
SCHEMBL20847439 0.88 POLB (0.40) POLB
SCHEMBL17896030 0.87 POLB (0.39) POLBAGBL2
SCHEMBL17009004 0.87 POLB (0.37) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL24314106 0.86 PIK3CA (0.31) —
SCHEMBL17896018 0.86 POLB (0.39) POLBALDH1A1
SCHEMBL20847335 0.85 POLB (0.36) POLB
SCHEMBL17901811 0.85 POLB (0.36) POLB
SCHEMBL14678088 0.85 POLB (0.40) POLBMEN1KMT2A
SCHEMBL17901809 0.85 POLB (0.39) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778599-A2 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 — — EP disclosed
EP-3778598-A2 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 — — EP disclosed
CN-107428746-B Pesticidally active polycyclic derivatives with sulfur-containing substituents 先正达参股股份有限公司 2020-10-09 — — CN disclosed
EP-3016949-B1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-13 — — EP disclosed
US-10385048-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATION AG (CH) 2019-08-20 — — US disclosed
US-10385048-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATION AG (CH) 2019-08-20 — — US disclosed
EP-3240786-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-03-27 — — EP disclosed
EP-3240786-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-03-27 — — EP disclosed
US-20170367332-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-28 — — US disclosed
US-20170367332-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-28 — — US disclosed
EP-3240786-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Crop Protection AG (CH) 2017-11-08 — — EP disclosed
WO-2016107831-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2016-07-07 — — 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-20170367332-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, SQOR, ACHE POLB 2724/4885AGBL2 2684/4885MEN1 896/4885
US-10385048-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents DDT, SQOR, ACHE POLB 2724/4885AGBL2 2684/4885MEN1 896/4885

“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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