SCHEMBL15760228

SCHEMBL15760228

CC(C)c1nccn2nccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 5/20 0.40
▸ PIK3CG P48736 1/20 0.38
▸ PDE5A O76074 6/20 0.37
▸ PDE4B Q07343 5/20 0.37
▸ PDE3A Q14432 4/20 0.37
▸ MIF P14174 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PDE4C Q08493 1/20 0.37

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
SCHEMBL24983455 0.82 MAP4K4 (0.33) MAP4K4ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL12405880 0.77 MAP4K4 (0.60) MAP4K4PIK3CGPDE5APDE4BPDE3A
SCHEMBL15760248 0.74 ALDH1A1 (0.35) MAP4K4PIK3CGPDE5APDE4BPDE3A
SCHEMBL24984429 0.74 PDE5A (0.35) MAP4K4PIK3CGPDE5APDE4BPDE3A
SCHEMBL24996941 0.74 PIK3C3 (0.33) ALDH1A1DYRK1A
SCHEMBL15760559 0.74 MAP4K4 (0.35) MAP4K4PIK3CGCYP3A4DYRK1APIK3CA
SCHEMBL29302245 0.72 PDE5A (0.36) PIK3CGPDE5APDE4BPDE3AMIF
SCHEMBL10077954 0.71 MAP4K4 (0.45) MAP4K4PIK3CGPDE5APDE4BPDE3A
SCHEMBL651413 0.71 MAP4K4 (0.41) MAP4K4PIK3CGCYP1A2CYP3A4TSHR
SCHEMBL24589127 0.69 MAP4K4 (0.34) MAP4K4PIK3CAPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834452-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2023-12-05 — — US disclosed
US-11834452-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2023-12-05 — — US disclosed
WO-2023220741-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF DICE MOLECULES SV, INC. (US) 2023-11-16 — — WO disclosed
WO-2023168686-A1 SUBSTITUTED CYCLOPENTANES AS CDK2 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2023-09-14 — — WO disclosed
WO-2023116884-A1 CDK2 INHIBITORS AND USE THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2023-06-29 — — WO disclosed
US-20230159558-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-25 — — US disclosed
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2023-01-26 — — US disclosed
US-20220127272-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. 2022-04-28 — — US disclosed
WO-2021126729-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-24 — — WO disclosed
WO-2020163193-A1 BICYCLIC ETHER O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2020-08-13 — — WO disclosed
US-20180086766-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. 2018-03-29 — — US disclosed
US-20170320874-A1 6,5-BICYCLIC OCTAHYDROPYRROLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-09 — — US disclosed
US-20170320874-A1 6,5-BICYCLIC OCTAHYDROPYRROLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-09 — — US disclosed
US-20170305916-A1 METHYL DIAZEPANE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-10-26 — — US disclosed
US-20170305916-A1 METHYL DIAZEPANE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-10-26 — — US disclosed
US-9783544-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2017-10-10 — — US disclosed
US-9783544-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2017-10-10 — — US disclosed
US-20160145259-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. 2016-05-26 — — US disclosed
US-9169261-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2015-10-27 — — US disclosed
US-20140154179-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. (US) 2014-06-05 — — US 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 (9 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-20170305916-A1 METHYL DIAZEPANE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR MAP4K4 3890/4885PIK3CG 3043/4885PDE5A 2398/4885
US-20230159558-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF RIPK1, RIPK3, RIPK4 MAP4K4 197/4885PIK3CG 2093/4885PDE5A 2458/4885
US-20170320874-A1 6,5-BICYCLIC OCTAHYDROPYRROLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY5R MAP4K4 3399/4885PIK3CG 2801/4885PDE5A 1241/4885
US-20180086766-A1 CXCR7 ANTAGONISTS CXCR1, CXCR5, CCR7 MAP4K4 3528/4885PIK3CG 2989/4885PDE5A 311/4885
US-20160145259-A1 CXCR7 ANTAGONISTS CXCR1, CXCR5, CCR7 MAP4K4 3528/4885PIK3CG 2989/4885PDE5A 311/4885
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 MAP4K4 2871/4885PIK3CG 2526/4885PDE5A 2115/4885
US-11834452-B2 CXCR7 antagonists CXCR1, CXCR5, CCR7 MAP4K4 3528/4885PIK3CG 2989/4885PDE5A 311/4885
US-20140154179-A1 CXCR7 ANTAGONISTS CXCR1, CXCR5, CCR7 MAP4K4 3528/4885PIK3CG 2989/4885PDE5A 311/4885
US-20220127272-A1 CXCR7 ANTAGONISTS CXCR1, CXCR5, CCR7 MAP4K4 3528/4885PIK3CG 2989/4885PDE5A 311/4885

“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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