SCHEMBL2729661

SCHEMBL2729661

Cn1ncc2c(B(O)O)cccc21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ TRPV1 Q8NER1 7/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CREBBP Q92793 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ MPO P05164 2/20 0.34
▸ FAAH O00519 1/20 0.33

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
SCHEMBL29664064 1.00 CCR4 (0.39) CCR4KDRTRPV1LMNAHPGD
Hydrochloric Acid SCHEMBL29958115 0.98 CCR4 (0.38) CCR4KDRTRPV1LMNAHPGD
SCHEMBL18979792 0.78 CCR4 (0.34) CCR4KDRTRPV1
SCHEMBL30774143 0.77 NR3C2 (0.34) —
SCHEMBL1082224 0.77 CCR4 (0.40) CCR4KDRTRPV1LMNAHPGD
SCHEMBL15011334 0.76 CREBBP (0.34) CCR4KDRTRPV1CREBBP
SCHEMBL29952533 0.76 KDR (0.35) KDRLMNACREBBP
SCHEMBL29958362 0.76 CREBBP (0.34) CCR4KDRTRPV1CREBBP
SCHEMBL256207 0.75 CYP11B1 (0.43) CCR4KDR
SCHEMBL31171080 0.73 CYP11B1 (0.44) CCR4KDRTRPV1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4344702-B1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2026-01-28 — — EP disclosed
US-20250236608-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION 2025-07-24 — — US disclosed
US-20250154154-A1 SRC INHIBITORS AND USES THEREOF RELAY THERAPEUTICS, INC. 2025-05-15 — — US disclosed
EP-4217062-B1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-10-09 — — EP disclosed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 — — US disclosed
CN-117986241-A Biphenyl derivative, pharmaceutical composition and application thereof 武汉睿健医药科技有限公司 2024-05-07 — — CN disclosed
EP-4344702-A2 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS Novartis AG (CH) 2024-04-03 — — EP disclosed
EP-4076662-B1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2024-01-31 — — EP disclosed
US-11873309-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2024-01-16 — — US disclosed
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-31 — — US disclosed
EP-2670738-A2 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-11 — — EP disclosed
US-8399459-B2 1,4 oxazines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-03-19 — — US disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 — — US disclosed
WO-2012104263-A2 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 — — WO disclosed
US-20120196863-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS SIENA BIOTECH S.P.A. (IT) 2012-08-02 — — US disclosed
EP-2445886-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2012-05-02 — — EP disclosed
EP-2366699-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-09-21 — — EP disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 — — US disclosed
WO-2010151791-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 — — WO disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 — — 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 (8 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-20120196863-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 CCR4 4597/4885KDR 3266/4885TRPV1 3736/4885
US-11873309-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS CCR4 57/4885KDR 4231/4885TRPV1 1391/4885
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP CCR4 4485/4885KDR 3544/4885TRPV1 1276/4885
US-20250236608-A1 EGFR INHIBITORS EGFR, ERBB2, ERBB3 CCR4 4373/4885KDR 33/4885TRPV1 4428/4885
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 CCR4 3283/4885KDR 3649/4885TRPV1 2692/4885
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators MGLL, LPL, PNLIP CCR4 4489/4885KDR 3592/4885TRPV1 1275/4885
US-20250154154-A1 SRC INHIBITORS AND USES THEREOF SRC, LCK, FYN CCR4 2602/4885KDR 313/4885TRPV1 1884/4885
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 CCR4 1475/4885KDR 1702/4885TRPV1 1841/4885

“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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