SCHEMBL16647306

SCHEMBL16647306

COc1ccncc1-c1cnc(N2C(=O)N(C)C(C)C2O)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 2/20 0.37
▸ MCHR1 Q99705 2/20 0.36
▸ LIMK1 P53667 2/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ ADRB2 P07550 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ GPR183 P32249 1/20 0.34
▸ APLNR P35414 1/20 0.34
▸ S1PR5 Q9H228 1/20 0.34
▸ POLQ O75417 1/20 0.34
▸ LIMK2 P53671 1/20 0.34
▸ HTR2C P28335 4/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ CYP1A2 P05177 4/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ MDM4 O15151 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ PDE3B Q13370 2/20 0.33
▸ PDE3A Q14432 2/20 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
SCHEMBL16637774 0.84 HDAC3 (0.33) HTR2CHTR2BCYP1A2HTR2AAR
SCHEMBL16647342 0.81 PIK3CA (0.37) —
SCHEMBL16647343 0.81 PIK3CA (0.33) PDE3BPDE3A
SCHEMBL16647341 0.80 CYP11B1 (0.39) LIMK1CYP1A2
SCHEMBL16647362 0.79 P2RX7 (0.31) MCHR1S1PR1PDE3BPDE3A
SCHEMBL16647269 0.79 S1PR1 (0.39) S1PR1
SCHEMBL16647295 0.77 PDE3B (0.46) MCHR1PDE3BPDE3A
SCHEMBL18070192 0.76 AR (0.32) AR
SCHEMBL16647382 0.76 PIK3CD (0.31) —
SCHEMBL16647321 0.75 COMT (0.37) PDE3BPDE3AAR

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
US-11608323-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2023-03-21 — — US disclosed
EP-3054773-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-01-26 — — EP disclosed
EP-3054773-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-01-26 — — EP disclosed
CN-111961033-A Herbicidal compounds 先正达参股股份有限公司 2020-11-20 — — CN disclosed
US-20190112288-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-04-18 — — US disclosed
US-20190112288-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-04-18 — — US disclosed
US-20160264547-A1 Herbicidal Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 — — US disclosed
US-20160264547-A1 Herbicidal Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 — — US disclosed
US-20160264547-A1 Herbicidal Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 — — US disclosed
WO-2015052076-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-04-16 — — 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 (3 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-20190112288-A1 HERBICIDAL COMPOUNDS DDT, RDX, CBR3 CYP17A1 204/4885MCHR1 257/4885LIMK1 3742/4885
US-20160264547-A1 Herbicidal Compounds DDT, RDX, CBR3 CYP17A1 174/4885MCHR1 341/4885LIMK1 3755/4885
US-11608323-B2 Herbicidal compounds DDT, RDX, CBR3 CYP17A1 204/4885MCHR1 257/4885LIMK1 3742/4885

“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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