SCHEMBL22605698

SCHEMBL22605698

O=C(Cc1ccc2ncccc2c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLD2 O14939 2/20 0.62
▸ PLD1 Q13393 2/20 0.62
▸ TNKS O95271 1/20 0.52
▸ PARP1 P09874 1/20 0.52
▸ PARP2 Q9UGN5 1/20 0.52
▸ CYP3A4 P08684 2/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ AKT1 P31749 4/20 0.49
▸ CALCRL Q16602 3/20 0.49
▸ AKT2 P31751 2/20 0.49
▸ AKT3 Q9Y243 1/20 0.49
▸ CHRM2 P08172 1/20 0.48
▸ CHRM4 P08173 1/20 0.48
▸ CHRM5 P08912 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ CHRM3 P20309 1/20 0.48

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
SCHEMBL29518452 1.00 PLD2 (0.62) PLD2PLD1TNKSPARP1PARP2
SCHEMBL22605642 0.90 PLD2 (0.51) PLD2PLD1TNKSPARP1PARP2
SCHEMBL22605633 0.90 TNKS (0.56) PLD2PLD1TNKSPARP1PARP2
SCHEMBL22588141 0.90 PLD2 (0.51) PLD2PLD1TNKSPARP1PARP2
SCHEMBL31285839 0.90 PLD2 (0.51) PLD2PLD1TNKSPARP1PARP2
SCHEMBL31285930 0.88 CYP3A4 (0.61) PLD2PLD1TNKSPARP1PARP2
SCHEMBL22587788 0.88 CYP3A4 (0.61) PLD2PLD1TNKSPARP1PARP2
SCHEMBL24368197 0.86 CALCRL (0.53) PLD2PLD1CALCRL
SCHEMBL22605756 0.86 CCR3 (0.48) PLD2PLD1TNKSPARP1PARP2
SCHEMBL22587878 0.86 PLD2 (0.47) PLD2PLD1TNKSPARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240391940-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME GENEROS BIOPHARMA LTD. (GB) 2024-11-28 — — US disclosed
EP-4234544-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME Generos Biopharma Ltd. (KY) 2023-08-30 — — EP disclosed
EP-4234544-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME Generos Biopharma Ltd. (KY) 2023-08-30 — — EP disclosed
CN-116457347-A Compound containing condensed rings, application thereof and composition containing compound 健艾仕生物医药有限公司 2023-07-18 — — CN disclosed
CN-114478482-A Compound containing condensed ring, application thereof and composition containing compound 健艾仕生物医药有限公司 2022-05-13 — — CN disclosed
WO-2022083731-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2022-04-28 — — WO disclosed
CN-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 — — CN disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 — — 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-20240391940-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME STAT5A, STAT5B, JAK2 PLD2 2925/4885PLD1 3424/4885TNKS 2002/4885

“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