SCHEMBL22561405

SCHEMBL22561405

CNC(C)(C)COC(C)(C)Cn1cc(CNC(=O)c2csc(-c3cnc(SC)nc3)n2)nn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 4/20 0.40
▸ HPGDS O60760 3/20 0.35
▸ GLS O94925 3/20 0.33
▸ TLR7 Q9NYK1 4/20 0.33
▸ ACKR3 P25106 1/20 0.31
▸ FTO Q9C0B1 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ DGAT2 Q96PD7 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL22561394 0.72 NPC1 (0.37) HPGDPOLB
SCHEMBL22561397 0.69 — —
SCHEMBL22561401 0.64 GLS (0.30) GLS
SCHEMBL24642343 0.64 KDR (0.33) —
SCHEMBL21137532 0.63 HPGDS (0.61) HPGDS
SCHEMBL26495656 0.62 CYP19A1 (0.35) —
SCHEMBL22561327 0.62 — —
SCHEMBL18997390 0.59 TLR7 (0.72) TLR7CYP1A2POLBCYP3A4CYP2C9
SCHEMBL21016887 0.58 GLS (0.58) GLSHPGD
SCHEMBL22561315 0.57 — —

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-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-11-09 — — US disclosed
EP-3725798-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-10-21 — — EP 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-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF DOCK11, PAICS, RHOA P2RX7 4399/4885HPGDS 1090/4885GLS 1173/4885

“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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