SCHEMBL20520407

SCHEMBL20520407

CC(O)c1nn(C)c2cc(Br)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ TYRO3 Q06418 1/20 0.40
▸ ESR1 P03372 1/20 0.36
▸ MAPK8 P45983 1/20 0.35
▸ HDAC8 Q9BY41 3/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ DNM1 Q05193 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.32
▸ CCNB2 O95067 1/20 0.32
▸ CDK1 P06493 1/20 0.32

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
SCHEMBL30645727 1.00 PDGFRA (0.40) PDGFRACDK5TYRO3ESR1MAPK8
SCHEMBL26289032 0.87 PDGFRA (0.39) PDGFRACDK5TYRO3ESR1MAPK8
SCHEMBL30258631 0.80 PDGFRA (0.35) PDGFRACDK5TYRO3ESR1MAPK8
SCHEMBL26621523 0.80 PDGFRA (0.35) PDGFRACDK5TYRO3ESR1MAPK8
SCHEMBL10112108 0.76 PDGFRA (0.44) PDGFRACDK5TYRO3ESR1MAPK8
SCHEMBL12535857 0.76 KDM4E (0.50) SMN1; SMN2LMNABACE1HTR2AHTR2C
SCHEMBL17678220 0.75 ADORA2A (0.33) ADORA2AADORA2B
SCHEMBL30032217 0.74 ADORA2A (0.59) PDGFRACDK5TYRO3ESR1MAPK8
SCHEMBL2144982 0.74 ADORA2A (0.59) PDGFRACDK5TYRO3ESR1MAPK8
SCHEMBL15332426 0.73 PDGFRA (0.39) PDGFRACDK5TYRO3ESR1MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601231-B1 PESTICIDAL COMPOUNDS BASF SE (DE) 2023-05-10 — — EP disclosed
US-11160280-B2 Pesticial compounds BASF SE (DE) 2021-11-02 — — US disclosed
EP-3601231-A1 PESTICIDAL COMPOUNDS BASF SE (DE) 2020-02-05 — — EP disclosed
US-20200029566-A1 Pesticial Compounds BASF SE (DE) 2020-01-30 — — US disclosed
WO-2018177781-A1 PESTICIDAL COMPOUNDS BASF SE (DE) 2018-10-04 — — 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-11160280-B2 Pesticial compounds PNMT, DDT, NIT2 PDGFRA 4480/4885CDK5 1336/4885TYRO3 1091/4885
US-20200029566-A1 Pesticial Compounds PNMT, DDT, NIT2 PDGFRA 4480/4885CDK5 1336/4885TYRO3 1091/4885

“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.

Send feedback