SCHEMBL3217581

SCHEMBL3217581

Oc1cc2cc(Br)cnc2cc1F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.38
PDGFRA P16234 4/20 0.38
EGFR P00533 2/20 0.38
DYRK1A Q13627 3/20 0.35
ESR1 P03372 3/20 0.34
ESR2 Q92731 3/20 0.34
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
PRNP P04156 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NOD2 Q9HC29 1/20 0.33
KMT2A Q03164 1/20 0.31
DYRK1B Q9Y463 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
SCHEMBL18571995 0.93 PDGFRB (0.38) PDGFRBPDGFRAEGFRDYRK1AESR1
SCHEMBL31475475 0.84 PDGFRB (0.46) PDGFRBPDGFRADYRK1AHTTHPGD
SCHEMBL24096780 0.84 PDGFRB (0.46) PDGFRBPDGFRADYRK1AHTTHPGD
SCHEMBL3216136 0.78 PDGFRB (0.38) PDGFRBPDGFRAEGFR
SCHEMBL3214905 0.78 NPSR1 (0.40) PDGFRBPDGFRAEGFRDYRK1AHTT
SCHEMBL3222941 0.78 PLAU (0.39) PDGFRBPDGFRAEGFRDYRK1AESR1
SCHEMBL18571804 0.74 PLAU (0.39) PDGFRBPDGFRAEGFRDYRK1AESR1
SCHEMBL21129928 0.74 DYRK1A (0.35) PDGFRBPDGFRADYRK1AHTTLMNA
SCHEMBL23429990 0.74 ALDH1A1 (0.36) PDGFRBPDGFRADYRK1AHTTNPSR1
SCHEMBL29911356 0.74 DYRK1A (0.35) PDGFRBPDGFRADYRK1AHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021074279-A1 SPIRO-FUSED TRICYCLIC MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-04-22 WO disclosed
CN-101522030-B Fungicides SYNGENTA PARTICIPATIONS AG 2012-09-05 CN disclosed
US-20100056570-A1 FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-03-04 US disclosed
WO-2010015680-A1 FUNGICIDE OXYALKYLAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2010-02-11 WO disclosed
CN-101522030-A Fungicides SYNGENTA PARTICIPATIONS AG (CH) 2009-09-02 CN disclosed
EP-2068632-A1 FUNGICIDES Syngeta Participations AG (CH) 2009-06-17 EP disclosed
WO-2008028624-A1 FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-03-13 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 (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-20100056570-A1 FUNGICIDES CYP21A2, CYP51A1, CYP4X1 PDGFRB 4516/4885PDGFRA 4427/4885EGFR 4223/4885

“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.