SCHEMBL9730660

SCHEMBL9730660

O=c1cc(C(F)(F)F)c(Br)c[nH]1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
NOTUM Q6P988 2/20 0.37
AR P10275 8/20 0.37
ALDH1A1 P00352 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
ADRA1A P35348 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
XBP1 P17861 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
WDR5 P61964 1/20 0.32
HCAR1 Q9BXC0 1/20 0.31

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
SCHEMBL10671983 0.80 PIK3R1 (0.41) PIK3R1PIK3CANOTUMARADRA1A
SCHEMBL7694139 0.75 ADRA1A (0.50) PIK3R1PIK3CANOTUMARALDH1A1
SCHEMBL7699003 0.75 AR (0.44) PIK3R1PIK3CANOTUMARALDH1A1
SCHEMBL24018711 0.73 PIK3R1 (0.38) PIK3R1PIK3CAARALDH1A1WDR5
SCHEMBL20157698 0.71
SCHEMBL15639192 0.71 AR (0.44) PIK3R1PIK3CANOTUMARALDH1A1
SCHEMBL20906997 0.71 NOTUM (0.41) PIK3R1PIK3CANOTUMARPDE3B
SCHEMBL1930232 0.71 ALDH1A1 (0.45) PIK3R1PIK3CANOTUMALDH1A1MEN1
SCHEMBL30761169 0.71 AR (0.41) ARALDH1A1
SCHEMBL9774814 0.69 CA12 (0.43) PIK3R1PIK3CAARALDH1A1ADRA1A

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036680-A Anti-fibrotic pyridones 英特穆恩公司 2026-05-15 CN disclosed
EP-4559525-A2 INHIBITING HUMAN INTEGRIN ALPHA4BETA7 Morphic Therapeutic, Inc. (US) 2025-05-28 EP disclosed
EP-4045039-B1 INHIBITING HUMAN INTEGRIN ALPHA4BETA7 MORPHIC THERAPEUTIC INC (US) 2025-04-23 EP disclosed
CN-119192137-A Inhibition of human integrin alpha4β7 莫菲克医疗股份有限公司 2024-12-27 CN disclosed
US-20240174632-A1 INHIBITING HUMAN INTEGRIN (ALPHA-4) (BETA-7) MORPHIC THERAPEUTIC, INC. (US) 2024-05-30 US disclosed
CN-115087444-A Inhibition of human integrin alpha 4 β 7 莫菲克医疗股份有限公司 2022-09-20 CN disclosed
US-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2022-09-15 US disclosed
CN-110452216-B Anti-fibrotic pyridinones 英特穆恩公司 2022-08-26 CN disclosed
EP-4045039-A1 INHIBITING HUMAN INTEGRIN ALPHA4BETA7 Morphic Therapeutic, Inc. (US) 2022-08-24 EP disclosed
US-11370773-B1 Inhibiting human integrin (alpha-4) (beta-7) MORPHIC THERAPEUTIC, INC. (US) 2022-06-28 US disclosed
US-5039807-A Insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-08-13 US disclosed
EP-0398499-A2 Insecticides ZENECA LIMITED (GB) 1990-11-22 EP disclosed
CN-1046526-A New compound and preparation method thereof ICI PLC (GB) 1990-10-31 CN disclosed
US-4866078-A Phenyl pyridones and insectidal use thereof IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-09-12 US disclosed
CN-87106573-A Compound 1988-07-27 CN disclosed
EP-0272824-A2 Chemical compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-06-29 EP disclosed
EP-0259048-A2 Chemical compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-09 EP disclosed
US-4725607-A MITICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-02-16 US disclosed
EP-0216541-A1 Aryl pyridones IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-01 EP disclosed
CN-86106734-A ARYL PYRIDONES 1987-04-01 CN 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-11370773-B1 Inhibiting human integrin (alpha-4) (beta-7) ITGB7, ITGB4, ITGA4 PIK3R1 2841/4885PIK3CA 1185/4885NOTUM 4332/4885
US-20240174632-A1 INHIBITING HUMAN INTEGRIN (ALPHA-4) (BETA-7) ITGB7, ITGB4, ITGA4 PIK3R1 2841/4885PIK3CA 1185/4885NOTUM 4332/4885
US-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS WDR5, WDR77, WDR1 PIK3R1 982/4885PIK3CA 1706/4885NOTUM 3329/4885

“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.