SCHEMBL629668

SCHEMBL629668

C1=C(c2nccs2)CCC2(C1)OCCO2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.32
▸ F2RL3 Q96RI0 1/20 0.32
▸ TBK1 Q9UHD2 2/20 0.31
▸ IKBKE Q14164 1/20 0.31
▸ SUV39H2 Q9H5I1 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
SCHEMBL30278554 0.76 GABRA1 (0.35) PDPK1
SCHEMBL25184675 0.74 BTK (0.33) TBK1IKBKESUV39H2
SCHEMBL12652363 0.74 IKBKE (0.33) TBK1IKBKESUV39H2
SCHEMBL23305873 0.74 SNCA (0.31) F2RL3TBK1IKBKE
SCHEMBL24676501 0.73 IDH1 (0.37) F2RL3TBK1IKBKESUV39H2
SCHEMBL19984740 0.71 F2RL3 (0.32) F2RL3SUV39H2
SCHEMBL21273294 0.71 SUV39H2 (0.33) F2RL3TBK1IKBKESUV39H2
SCHEMBL629922 0.71 TBK1 (0.39) TBK1IKBKESUV39H2
SCHEMBL14403246 0.71 TBK1 (0.43) TBK1IKBKESUV39H2
SCHEMBL23306492 0.71 SUV39H2 (0.31) F2RL3TBK1IKBKESUV39H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4561575-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 — — EP disclosed
CN-114929345-B Substituted pyrazole compounds as TOLL receptor inhibitors 百时美施贵宝公司 2024-07-23 — — CN disclosed
US-12005127-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-06-11 — — US disclosed
CN-111757876-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2024-03-22 — — CN disclosed
EP-3740480-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2024-03-06 — — EP disclosed
WO-2024026486-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
CN-116514799-A Wee1 inhibitor, composition and application thereof 星希尔生物科技(上海)有限公司 2023-08-01 — — CN disclosed
WO-2023081666-A1 COMPOUNDS AS CCR2 MODULATORS ARIA PHARMACEUTICALS, INC. (US) 2023-05-11 — — WO disclosed
WO-2023081666-A1 COMPOUNDS AS CCR2 MODULATORS ARIA PHARMACEUTICALS, INC. (US) 2023-05-11 — — WO disclosed
CN-114929345-A Substituted pyrazole compounds as TOLL receptor inhibitors 百时美施贵宝公司 2022-08-19 — — CN disclosed
WO-2010121011-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 — — WO disclosed
WO-2010121011-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 — — WO disclosed
US-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 — — US disclosed
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors INCYTE CORPORATION 2009-10-01 — — US disclosed
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors INCYTE CORPORATION 2009-10-01 — — US disclosed
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors INCYTE CORPORATION 2009-10-01 — — US disclosed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 — — EP disclosed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 — — US disclosed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 — — EP disclosed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 — — 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 (4 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-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 PDPK1 1705/4885F2RL3 118/4885TBK1 1729/4885
US-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 PDPK1 3428/4885F2RL3 142/4885TBK1 3060/4885
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors CCR2, CXCR3, CCR5 PDPK1 1961/4885F2RL3 80/4885TBK1 1893/4885
US-12005127-B2 DNA-PK inhibitors POLK, DTYMK, DCK PDPK1 59/4885F2RL3 2879/4885TBK1 475/4885

“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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