SCHEMBL20909907

SCHEMBL20909907

Cc1cccc(C(C)(O)C(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.39
▸ CCR8 P51685 1/20 0.39
▸ NOS3 P29474 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ RAB9A P51151 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ASIC3 Q9UHC3 1/20 0.34
▸ FDPS P14324 1/20 0.33
▸ FDFT1 P37268 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ METAP2 P50579 1/20 0.32
▸ PGK1 P00558 1/20 0.32
▸ PGK2 P07205 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
SCHEMBL23966993 0.80 ADRB1 (0.32) ADRB1PGK1PGK2ACHE
SCHEMBL23967200 0.80 IRAK4 (0.32) ADRB1PGK1PGK2ACHE
SCHEMBL23126553 0.79 HSD11B1 (0.30) HSD11B1
SCHEMBL20890078 0.79 ADRB1 (0.40) ADRB1PGK1PGK2
SCHEMBL129020 0.78 CCR1 (0.46) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL16132534 0.78 CCR1 (0.46) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL15832235 0.76 HSD11B1 (0.41) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL20910015 0.75 CCR1 (0.43) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL16132429 0.75 NOS3 (0.45) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL20909878 0.74 CCR1 (0.46) CCR1CCR8NOS3NOS2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954253-B2 1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one derivative as Wee1 inhibitor Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2021-03-23 — — US disclosed
WO-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 — — 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-10954253-B2 1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one derivative as Wee1 inhibitor WEE1, WEE2, CCNE1 CCR1 3683/4885CCR8 3448/4885NOS3 2633/4885

“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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